*HEADER STRUCTURAL GENOMICS 23-MAY-07 2JPU *TITLE SOLUTION STRUCTURE OF NESG TARGET SSR10, ORF C02003 PROTEIN *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: ORF C02003 PROTEIN; *COMPND 3 CHAIN: A; *COMPND 4 SYNONYM: HYPOTHETICAL PROTEIN; *COMPND 5 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; *SOURCE 3 GENE: ORF C02003; *SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; *SOURCE 5 EXPRESSION_SYSTEM_COMMON: BACTERIA; *SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR; *SOURCE 7 EXPRESSION_SYSTEM_VECTOR: PET21 *KEYWDS NMR, SOLUTION STRUCTURE, SSR10, NESG, STRUCTURAL GENOMICS, *KEYWDS 2 PSI-2, PROTEIN STRUCTURE INITIATIVE, NORTHEAST STRUCTURAL *KEYWDS 3 GENOMICS CONSORTIUM *EXPDTA NMR, 20 STRUCTURES *AUTHOR Y.WU, K.SINGARAPU, Q.ZHANG, A.ELETSKI, D.XU, D.SUKUMARAN, *AUTHOR 2 D.PARISH, D.WANG, M.JIANG, K.CUNNINGHAM, M.MAGLAQUI, *AUTHOR 3 L.OWENS, R.XIAO, J.LIU, M.BARAN, G.V.T.SWAPNA, T.ACTON, *AUTHOR 4 B.ROST, G.MONTELIONE, T.SZYPERSKI, NORTHEAST STRUCTURAL *AUTHOR 5 GENOMICS CONSORTIUM (NESG) *REVDAT 1 03-JUL-07 2JPU 0 assign ( resid 6 and name C ) ( resid 7 and name N ) (resid 7 and name CA ) ( resid 7 and name C ) 1 -60.00 11.00 2 assign ( resid 7 and name N ) ( resid 7 and name CA ) (resid 7 and name C ) ( resid 8 and name N ) 1 -39.00 14.00 2 assign ( resid 7 and name C ) ( resid 8 and name N ) (resid 8 and name CA ) ( resid 8 and name C ) 1 -64.00 11.00 2 assign ( resid 8 and name N ) ( resid 8 and name CA ) (resid 8 and name C ) ( resid 9 and name N ) 1 -40.00 11.00 2 assign ( resid 8 and name C ) ( resid 9 and name N ) (resid 9 and name CA ) ( resid 9 and name C ) 1 -62.00 11.00 2 assign ( resid 9 and name N ) ( resid 9 and name CA ) (resid 9 and name C ) ( resid 10 and name N ) 1 -46.00 21.00 2 assign ( resid 9 and name C ) ( resid 10 and name N ) (resid 10 and name CA ) ( resid 10 and name C ) 1 -62.00 11.00 2 assign ( resid 10 and name N ) ( resid 10 and name CA ) (resid 10 and name C ) ( resid 11 and name N ) 1 -40.00 17.00 2 assign ( resid 10 and name C ) ( resid 11 and name N ) (resid 11 and name CA ) ( resid 11 and name C ) 1 -64.00 13.00 2 assign ( resid 11 and name N ) ( resid 11 and name CA ) (resid 11 and name C ) ( resid 12 and name N ) 1 -47.00 12.00 2 assign ( resid 11 and name C ) ( resid 12 and name N ) (resid 12 and name CA ) ( resid 12 and name C ) 1 -61.00 14.00 2 assign ( resid 12 and name N ) ( resid 12 and name CA ) (resid 12 and name C ) ( resid 13 and name N ) 1 -39.00 20.00 2 assign ( resid 12 and name C ) ( resid 13 and name N ) (resid 13 and name CA ) ( resid 13 and name C ) 1 -68.00 15.00 2 assign ( resid 13 and name N ) ( resid 13 and name CA ) (resid 13 and name C ) ( resid 14 and name N ) 1 -42.00 13.00 2 assign ( resid 13 and name C ) ( resid 14 and name N ) (resid 14 and name CA ) ( resid 14 and name C ) 1 -64.00 11.00 2 assign ( resid 14 and name N ) ( resid 14 and name CA ) (resid 14 and name C ) ( resid 15 and name N ) 1 -42.00 13.00 2 assign ( resid 14 and name C ) ( resid 15 and name N ) (resid 15 and name CA ) ( resid 15 and name C ) 1 -64.00 11.00 2 assign ( resid 15 and name N ) ( resid 15 and name CA ) (resid 15 and name C ) ( resid 16 and name N ) 1 -40.00 11.00 2 assign ( resid 15 and name C ) ( resid 16 and name N ) (resid 16 and name CA ) ( resid 16 and name C ) 1 -68.00 11.00 2 assign ( resid 16 and name N ) ( resid 16 and name CA ) (resid 16 and name C ) ( resid 17 and name N ) 1 -40.00 13.00 2 assign ( resid 16 and name C ) ( resid 17 and name N ) (resid 17 and name CA ) ( resid 17 and name C ) 1 -63.00 16.00 2 assign ( resid 17 and name N ) ( resid 17 and name CA ) (resid 17 and name C ) ( resid 18 and name N ) 1 -40.00 11.00 2 assign ( resid 17 and name C ) ( resid 18 and name N ) (resid 18 and name CA ) ( resid 18 and name C ) 1 -68.00 15.00 2 assign ( resid 18 and name N ) ( resid 18 and name CA ) (resid 18 and name C ) ( resid 19 and name N ) 1 -38.00 11.00 2 assign ( resid 23 and name C ) ( resid 24 and name N ) (resid 24 and name CA ) ( resid 24 and name C ) 1 -64.00 13.00 2 assign ( resid 24 and name N ) ( resid 24 and name CA ) (resid 24 and name C ) ( resid 25 and name N ) 1 -45.00 12.00 2 assign ( resid 24 and name C ) ( resid 25 and name N ) (resid 25 and name CA ) ( resid 25 and name C ) 1 -60.00 11.00 2 assign ( resid 25 and name N ) ( resid 25 and name CA ) (resid 25 and name C ) ( resid 26 and name N ) 1 -43.00 14.00 2 assign ( resid 25 and name C ) ( resid 26 and name N ) (resid 26 and name CA ) ( resid 26 and name C ) 1 -68.00 11.00 2 assign ( resid 26 and name N ) ( resid 26 and name CA ) (resid 26 and name C ) ( resid 27 and name N ) 1 -41.00 10.00 2 assign ( resid 26 and name C ) ( resid 27 and name N ) (resid 27 and name CA ) ( resid 27 and name C ) 1 -62.00 11.00 2 assign ( resid 27 and name N ) ( resid 27 and name CA ) (resid 27 and name C ) ( resid 28 and name N ) 1 -41.00 18.00 2 assign ( resid 27 and name C ) ( resid 28 and name N ) (resid 28 and name CA ) ( resid 28 and name C ) 1 -66.00 15.00 2 assign ( resid 28 and name N ) ( resid 28 and name CA ) (resid 28 and name C ) ( resid 29 and name N ) 1 -45.00 12.00 2 assign ( resid 28 and name C ) ( resid 29 and name N ) (resid 29 and name CA ) ( resid 29 and name C ) 1 -65.00 18.00 2 assign ( resid 29 and name N ) ( resid 29 and name CA ) (resid 29 and name C ) ( resid 30 and name N ) 1 -38.00 29.00 2 assign ( resid 29 and name C ) ( resid 30 and name N ) (resid 30 and name CA ) ( resid 30 and name C ) 1 -65.00 12.00 2 assign ( resid 30 and name N ) ( resid 30 and name CA ) (resid 30 and name C ) ( resid 31 and name N ) 1 -42.00 31.00 2 assign ( resid 30 and name C ) ( resid 31 and name N ) (resid 31 and name CA ) ( resid 31 and name C ) 1 -63.00 12.00 2 assign ( resid 31 and name N ) ( resid 31 and name CA ) (resid 31 and name C ) ( resid 32 and name N ) 1 -44.00 11.00 2 assign ( resid 31 and name C ) ( resid 32 and name N ) (resid 32 and name CA ) ( resid 32 and name C ) 1 -60.00 11.00 2 assign ( resid 32 and name N ) ( resid 32 and name CA ) (resid 32 and name C ) ( resid 33 and name N ) 1 -43.00 14.00 2 assign ( resid 32 and name C ) ( resid 33 and name N ) (resid 33 and name CA ) ( resid 33 and name C ) 1 -63.00 12.00 2 assign ( resid 33 and name N ) ( resid 33 and name CA ) (resid 33 and name C ) ( resid 34 and name N ) 1 -39.00 16.00 2 assign ( resid 33 and name C ) ( resid 34 and name N ) (resid 34 and name CA ) ( resid 34 and name C ) 1 -64.00 17.00 2 assign ( resid 34 and name N ) ( resid 34 and name CA ) (resid 34 and name C ) ( resid 35 and name N ) 1 -40.00 11.00 2 assign ( resid 34 and name C ) ( resid 35 and name N ) (resid 35 and name CA ) ( resid 35 and name C ) 1 -62.00 13.00 2 assign ( resid 35 and name N ) ( resid 35 and name CA ) (resid 35 and name C ) ( resid 36 and name N ) 1 -41.00 22.00 2 assign ( resid 35 and name C ) ( resid 36 and name N ) (resid 36 and name CA ) ( resid 36 and name C ) 1 -64.00 11.00 2 assign ( resid 36 and name N ) ( resid 36 and name CA ) (resid 36 and name C ) ( resid 37 and name N ) 1 -38.00 13.00 2 assign ( resid 36 and name C ) ( resid 37 and name N ) (resid 37 and name CA ) ( resid 37 and name C ) 1 -64.00 11.00 2 assign ( resid 37 and name N ) ( resid 37 and name CA ) (resid 37 and name C ) ( resid 38 and name N ) 1 -44.00 11.00 2 assign ( resid 37 and name C ) ( resid 38 and name N ) (resid 38 and name CA ) ( resid 38 and name C ) 1 -67.00 14.00 2 assign ( resid 38 and name N ) ( resid 38 and name CA ) (resid 38 and name C ) ( resid 39 and name N ) 1 -38.00 11.00 2 assign ( resid 38 and name C ) ( resid 39 and name N ) (resid 39 and name CA ) ( resid 39 and name C ) 1 -62.00 15.00 2 assign ( resid 39 and name N ) ( resid 39 and name CA ) (resid 39 and name C ) ( resid 40 and name N ) 1 -45.00 12.00 2 assign ( resid 39 and name C ) ( resid 40 and name N ) (resid 40 and name CA ) ( resid 40 and name C ) 1 -63.00 12.00 2 assign ( resid 40 and name N ) ( resid 40 and name CA ) (resid 40 and name C ) ( resid 41 and name N ) 1 -44.00 15.00 2 assign ( resid 40 and name C ) ( resid 41 and name N ) (resid 41 and name CA ) ( resid 41 and name C ) 1 -64.00 11.00 2 assign ( resid 41 and name N ) ( resid 41 and name CA ) (resid 41 and name C ) ( resid 42 and name N ) 1 -43.00 16.00 2 assign ( resid 41 and name C ) ( resid 42 and name N ) (resid 42 and name CA ) ( resid 42 and name C ) 1 -69.00 20.00 2 assign ( resid 42 and name N ) ( resid 42 and name CA ) (resid 42 and name C ) ( resid 43 and name N ) 1 -40.00 15.00 2 assign ( resid 42 and name C ) ( resid 43 and name N ) (resid 43 and name CA ) ( resid 43 and name C ) 1 -60.00 13.00 2 assign ( resid 43 and name N ) ( resid 43 and name CA ) (resid 43 and name C ) ( resid 44 and name N ) 1 -39.00 12.00 2 assign ( resid 43 and name C ) ( resid 44 and name N ) (resid 44 and name CA ) ( resid 44 and name C ) 1 -64.00 15.00 2 assign ( resid 44 and name N ) ( resid 44 and name CA ) (resid 44 and name C ) ( resid 45 and name N ) 1 -32.00 17.00 2 assign ( resid 48 and name C ) ( resid 49 and name N ) (resid 49 and name CA ) ( resid 49 and name C ) 1 -73.00 28.00 2 assign ( resid 49 and name N ) ( resid 49 and name CA ) (resid 49 and name C ) ( resid 50 and name N ) 1 -38.00 23.00 2 assign ( resid 49 and name C ) ( resid 50 and name N ) (resid 50 and name CA ) ( resid 50 and name C ) 1 -73.00 26.00 2 assign ( resid 50 and name N ) ( resid 50 and name CA ) (resid 50 and name C ) ( resid 51 and name N ) 1 -34.00 21.00 2 assign ( resid 50 and name C ) ( resid 51 and name N ) (resid 51 and name CA ) ( resid 51 and name C ) 1 -70.00 25.00 2 assign ( resid 51 and name N ) ( resid 51 and name CA ) (resid 51 and name C ) ( resid 52 and name N ) 1 -28.00 49.00 2 assign ( resid 51 and name C ) ( resid 52 and name N ) (resid 52 and name CA ) ( resid 52 and name C ) 1 -69.00 20.00 2 assign ( resid 52 and name N ) ( resid 52 and name CA ) (resid 52 and name C ) ( resid 53 and name N ) 1 -36.00 17.00 2 assign ( resid 62 and name C ) ( resid 63 and name N ) (resid 63 and name CA ) ( resid 63 and name C ) 1 -67.00 16.00 2 assign ( resid 63 and name N ) ( resid 63 and name CA ) (resid 63 and name C ) ( resid 64 and name N ) 1 -40.00 17.00 2 assign ( resid 63 and name C ) ( resid 64 and name N ) (resid 64 and name CA ) ( resid 64 and name C ) 1 -63.00 16.00 2 assign ( resid 64 and name N ) ( resid 64 and name CA ) (resid 64 and name C ) ( resid 65 and name N ) 1 -40.00 15.00 2 assign ( resid 64 and name C ) ( resid 65 and name N ) (resid 65 and name CA ) ( resid 65 and name C ) 1 -66.00 15.00 2 assign ( resid 65 and name N ) ( resid 65 and name CA ) (resid 65 and name C ) ( resid 66 and name N ) 1 -40.00 11.00 2 assign ( resid 65 and name C ) ( resid 66 and name N ) (resid 66 and name CA ) ( resid 66 and name C ) 1 -64.00 11.00 2 assign ( resid 66 and name N ) ( resid 66 and name CA ) (resid 66 and name C ) ( resid 67 and name N ) 1 -40.00 13.00 2 assign ( resid 66 and name C ) ( resid 67 and name N ) (resid 67 and name CA ) ( resid 67 and name C ) 1 -64.00 11.00 2 assign ( resid 67 and name N ) ( resid 67 and name CA ) (resid 67 and name C ) ( resid 68 and name N ) 1 -39.00 12.00 2 assign ( resid 67 and name C ) ( resid 68 and name N ) (resid 68 and name CA ) ( resid 68 and name C ) 1 -65.00 12.00 2 assign ( resid 68 and name N ) ( resid 68 and name CA ) (resid 68 and name C ) ( resid 69 and name N ) 1 -37.00 14.00 2 assign ( resid 68 and name C ) ( resid 69 and name N ) (resid 69 and name CA ) ( resid 69 and name C ) 1 -63.00 10.00 2 assign ( resid 69 and name N ) ( resid 69 and name CA ) (resid 69 and name C ) ( resid 70 and name N ) 1 -44.00 17.00 2 assign ( resid 69 and name C ) ( resid 70 and name N ) (resid 70 and name CA ) ( resid 70 and name C ) 1 -62.00 17.00 2 assign ( resid 70 and name N ) ( resid 70 and name CA ) (resid 70 and name C ) ( resid 71 and name N ) 1 -55.00 10.00 2 assign ( resid 78 and name C ) ( resid 79 and name N ) (resid 79 and name CA ) ( resid 79 and name C ) 1 -57.30 19.30 2 assign ( resid 79 and name N ) ( resid 79 and name CA ) (resid 79 and name C ) ( resid 80 and name N ) 1 -45.80 14.20 2 assign ( resid 80 and name C ) ( resid 81 and name N ) (resid 81 and name CA ) ( resid 81 and name C ) 1 -62.00 15.00 2 assign ( resid 81 and name N ) ( resid 81 and name CA ) (resid 81 and name C ) ( resid 82 and name N ) 1 -40.00 11.00 2 assign ( resid 81 and name C ) ( resid 82 and name N ) (resid 82 and name CA ) ( resid 82 and name C ) 1 -64.00 19.00 2 assign ( resid 82 and name N ) ( resid 82 and name CA ) (resid 82 and name C ) ( resid 83 and name N ) 1 -39.00 18.00 2 assign ( resid 82 and name C ) ( resid 83 and name N ) (resid 83 and name CA ) ( resid 83 and name C ) 1 -67.00 18.00 2 assign ( resid 83 and name N ) ( resid 83 and name CA ) (resid 83 and name C ) ( resid 84 and name N ) 1 -44.00 11.00 2 assign ( resid 83 and name C ) ( resid 84 and name N ) (resid 84 and name CA ) ( resid 84 and name C ) 1 -66.00 15.00 2 assign ( resid 84 and name N ) ( resid 84 and name CA ) (resid 84 and name C ) ( resid 85 and name N ) 1 -38.00 15.00 2 assign ( resid 84 and name C ) ( resid 85 and name N ) (resid 85 and name CA ) ( resid 85 and name C ) 1 -69.00 18.00 2 assign ( resid 85 and name N ) ( resid 85 and name CA ) (resid 85 and name C ) ( resid 86 and name N ) 1 -38.00 15.00 2 assign ( resid 85 and name C ) ( resid 86 and name N ) (resid 86 and name CA ) ( resid 86 and name C ) 1 -62.00 13.00 2 assign ( resid 86 and name N ) ( resid 86 and name CA ) (resid 86 and name C ) ( resid 87 and name N ) 1 -42.00 11.00 2 assign ( resid 86 and name C ) ( resid 87 and name N ) (resid 87 and name CA ) ( resid 87 and name C ) 1 -68.00 19.00 2 assign ( resid 87 and name N ) ( resid 87 and name CA ) (resid 87 and name C ) ( resid 88 and name N ) 1 -41.00 16.00 2 assign ( resid 87 and name C ) ( resid 88 and name N ) (resid 88 and name CA ) ( resid 88 and name C ) 1 -62.00 11.00 2 assign ( resid 88 and name N ) ( resid 88 and name CA ) (resid 88 and name C ) ( resid 89 and name N ) 1 -44.00 11.00 2 assign ( resid 88 and name C ) ( resid 89 and name N ) (resid 89 and name CA ) ( resid 89 and name C ) 1 -62.00 13.00 2 assign ( resid 89 and name N ) ( resid 89 and name CA ) (resid 89 and name C ) ( resid 90 and name N ) 1 -39.00 14.00 2 assign ( resid 89 and name C ) ( resid 90 and name N ) (resid 90 and name CA ) ( resid 90 and name C ) 1 -66.00 19.00 2 assign ( resid 90 and name N ) ( resid 90 and name CA ) (resid 90 and name C ) ( resid 91 and name N ) 1 -41.00 16.00 2 assign ( resid 90 and name C ) ( resid 91 and name N ) (resid 91 and name CA ) ( resid 91 and name C ) 1 -62.00 11.00 2 assign ( resid 91 and name N ) ( resid 91 and name CA ) (resid 91 and name C ) ( resid 92 and name N ) 1 -43.00 14.00 2 assign ( resid 100 and name C ) ( resid 101 and name N ) (resid 101 and name CA ) ( resid 101 and name C ) 1 -62.00 11.00 2 assign ( resid 101 and name N ) ( resid 101 and name CA ) (resid 101 and name C ) ( resid 102 and name N ) 1 -34.00 11.00 2 assign ( resid 101 and name C ) ( resid 102 and name N ) (resid 102 and name CA ) ( resid 102 and name C ) 1 -64.00 13.00 2 assign ( resid 102 and name N ) ( resid 102 and name CA ) (resid 102 and name C ) ( resid 103 and name N ) 1 -36.00 11.00 2 assign ( resid 102 and name C ) ( resid 103 and name N ) (resid 103 and name CA ) ( resid 103 and name C ) 1 -69.00 14.00 2 assign ( resid 103 and name N ) ( resid 103 and name CA ) (resid 103 and name C ) ( resid 104 and name N ) 1 -38.00 19.00 2 assign ( resid 103 and name C ) ( resid 104 and name N ) (resid 104 and name CA ) ( resid 104 and name C ) 1 -64.00 11.00 2 assign ( resid 104 and name N ) ( resid 104 and name CA ) (resid 104 and name C ) ( resid 105 and name N ) 1 -44.00 11.00 2 assign ( resid 104 and name C ) ( resid 105 and name N ) (resid 105 and name CA ) ( resid 105 and name C ) 1 -60.00 11.00 2 assign ( resid 105 and name N ) ( resid 105 and name CA ) (resid 105 and name C ) ( resid 106 and name N ) 1 -42.00 13.00 2 assign ( resid 105 and name C ) ( resid 106 and name N ) (resid 106 and name CA ) ( resid 106 and name C ) 1 -64.00 11.00 2 assign ( resid 106 and name N ) ( resid 106 and name CA ) (resid 106 and name C ) ( resid 107 and name N ) 1 -43.00 14.00 2 assign ( resid 106 and name C ) ( resid 107 and name N ) (resid 107 and name CA ) ( resid 107 and name C ) 1 -64.00 11.00 2 assign ( resid 107 and name N ) ( resid 107 and name CA ) (resid 107 and name C ) ( resid 108 and name N ) 1 -46.00 11.00 2 assign ( resid 107 and name C ) ( resid 108 and name N ) (resid 108 and name CA ) ( resid 108 and name C ) 1 -66.00 13.00 2 assign ( resid 108 and name N ) ( resid 108 and name CA ) (resid 108 and name C ) ( resid 109 and name N ) 1 -40.00 17.00 2 assign ( resid 108 and name C ) ( resid 109 and name N ) (resid 109 and name CA ) ( resid 109 and name C ) 1 -64.00 17.00 2 assign ( resid 109 and name N ) ( resid 109 and name CA ) (resid 109 and name C ) ( resid 110 and name N ) 1 -40.00 15.00 2 assign ( resid 109 and name C ) ( resid 110 and name N ) (resid 110 and name CA ) ( resid 110 and name C ) 1 -69.00 12.00 2 assign ( resid 110 and name N ) ( resid 110 and name CA ) (resid 110 and name C ) ( resid 111 and name N ) 1 -38.00 17.00 2 assign ( resid 110 and name C ) ( resid 111 and name N ) (resid 111 and name CA ) ( resid 111 and name C ) 1 -62.00 11.00 2 assign ( resid 111 and name N ) ( resid 111 and name CA ) (resid 111 and name C ) ( resid 112 and name N ) 1 -43.00 12.00 2 assign ( resid 111 and name C ) ( resid 112 and name N ) (resid 112 and name CA ) ( resid 112 and name C ) 1 -63.00 14.00 2 assign ( resid 112 and name N ) ( resid 112 and name CA ) (resid 112 and name C ) ( resid 113 and name N ) 1 -46.00 11.00 2 assign ( resid 112 and name C ) ( resid 113 and name N ) (resid 113 and name CA ) ( resid 113 and name C ) 1 -60.00 11.00 2 assign ( resid 113 and name N ) ( resid 113 and name CA ) (resid 113 and name C ) ( resid 114 and name N ) 1 -35.00 22.00 2 assign ( resid 113 and name C ) ( resid 114 and name N ) (resid 114 and name CA ) ( resid 114 and name C ) 1 -66.00 11.00 2 assign ( resid 114 and name N ) ( resid 114 and name CA ) (resid 114 and name C ) ( resid 115 and name N ) 1 -42.00 17.00 2 assign ( resid 114 and name C ) ( resid 115 and name N ) (resid 115 and name CA ) ( resid 115 and name C ) 1 -64.00 11.00 2 assign ( resid 115 and name N ) ( resid 115 and name CA ) (resid 115 and name C ) ( resid 116 and name N ) 1 -42.00 11.00 2 assign ( resid 115 and name C ) ( resid 116 and name N ) (resid 116 and name CA ) ( resid 116 and name C ) 1 -63.00 12.00 2 assign ( resid 116 and name N ) ( resid 116 and name CA ) (resid 116 and name C ) ( resid 117 and name N ) 1 -42.00 15.00 2 assign ( resid 116 and name C ) ( resid 117 and name N ) (resid 117 and name CA ) ( resid 117 and name C ) 1 -64.00 15.00 2 assign ( resid 117 and name N ) ( resid 117 and name CA ) (resid 117 and name C ) ( resid 118 and name N ) 1 -41.00 12.00 2 assign ( resid 117 and name C ) ( resid 118 and name N ) (resid 118 and name CA ) ( resid 118 and name C ) 1 -68.00 11.00 2 assign ( resid 118 and name N ) ( resid 118 and name CA ) (resid 118 and name C ) ( resid 119 and name N ) 1 -40.00 13.00 2 assign ( resid 118 and name C ) ( resid 119 and name N ) (resid 119 and name CA ) ( resid 119 and name C ) 1 -64.00 11.00 2 assign ( resid 119 and name N ) ( resid 119 and name CA ) (resid 119 and name C ) ( resid 120 and name N ) 1 -44.00 11.00 2 assign ( resid 119 and name C ) ( resid 120 and name N ) (resid 120 and name CA ) ( resid 120 and name C ) 1 -63.00 14.00 2 assign ( resid 120 and name N ) ( resid 120 and name CA ) (resid 120 and name C ) ( resid 121 and name N ) 1 -36.00 21.00 2 assign ( resid 120 and name C ) ( resid 121 and name N ) (resid 121 and name CA ) ( resid 121 and name C ) 1 -68.00 13.00 2 assign ( resid 121 and name N ) ( resid 121 and name CA ) (resid 121 and name C ) ( resid 122 and name N ) 1 -39.00 14.00 2 assign ( resid 4 and name C ) ( resid 5 and name N ) (resid 5 and name CA ) ( resid 5 and name C ) 1 -180.00 135.00 2 assign ( resid 4 and name C ) ( resid 5 and name N ) (resid 5 and name CA ) ( resid 5 and name C ) 1 -55.00 130.00 2 assign ( resid 5 and name N ) ( resid 5 and name CA ) (resid 5 and name C ) ( resid 6 and name N ) 1 155.00 40.00 2 assign ( resid 5 and name C ) ( resid 6 and name N ) (resid 6 and name CA ) ( resid 6 and name C ) 1 -180.00 135.00 2 assign ( resid 5 and name C ) ( resid 6 and name N ) (resid 6 and name CA ) ( resid 6 and name C ) 1 -55.00 130.00 2 assign ( resid 6 and name N ) ( resid 6 and name CA ) (resid 6 and name C ) ( resid 7 and name N ) 1 20.00 105.00 2 assign ( resid 18 and name C ) ( resid 19 and name N ) (resid 19 and name CA ) ( resid 19 and name C ) 1 -180.00 135.00 2 assign ( resid 18 and name C ) ( resid 19 and name N ) (resid 19 and name CA ) ( resid 19 and name C ) 1 -55.00 130.00 2 assign ( resid 19 and name N ) ( resid 19 and name CA ) (resid 19 and name C ) ( resid 20 and name N ) 1 10.00 95.00 2 assign ( resid 19 and name C ) ( resid 20 and name N ) (resid 20 and name CA ) ( resid 20 and name C ) 1 -180.00 135.00 2 assign ( resid 19 and name C ) ( resid 20 and name N ) (resid 20 and name CA ) ( resid 20 and name C ) 1 -60.00 125.00 2 assign ( resid 20 and name N ) ( resid 20 and name CA ) (resid 20 and name C ) ( resid 21 and name N ) 1 5.00 90.00 2 assign ( resid 20 and name C ) ( resid 21 and name N ) (resid 21 and name CA ) ( resid 21 and name C ) 1 -180.00 135.00 2 assign ( resid 21 and name N ) ( resid 21 and name CA ) (resid 21 and name C ) ( resid 22 and name N ) 1 0.00 115.00 2 assign ( resid 21 and name C ) ( resid 22 and name N ) (resid 22 and name CA ) ( resid 22 and name C ) 1 -180.00 135.00 2 assign ( resid 21 and name C ) ( resid 22 and name N ) (resid 22 and name CA ) ( resid 22 and name C ) 1 -60.00 125.00 2 assign ( resid 22 and name N ) ( resid 22 and name CA ) (resid 22 and name C ) ( resid 23 and name N ) 1 115.00 90.00 2 assign ( resid 22 and name C ) ( resid 23 and name N ) (resid 23 and name CA ) ( resid 23 and name C ) 1 -90.00 45.00 2 assign ( resid 23 and name N ) ( resid 23 and name CA ) (resid 23 and name C ) ( resid 24 and name N ) 1 -45.00 40.00 2 assign ( resid 44 and name C ) ( resid 45 and name N ) (resid 45 and name CA ) ( resid 45 and name C ) 1 -180.00 135.00 2 assign ( resid 44 and name C ) ( resid 45 and name N ) (resid 45 and name CA ) ( resid 45 and name C ) 1 -60.00 125.00 2 assign ( resid 45 and name N ) ( resid 45 and name CA ) (resid 45 and name C ) ( resid 46 and name N ) 1 10.00 95.00 2 assign ( resid 45 and name C ) ( resid 46 and name N ) (resid 46 and name CA ) ( resid 46 and name C ) 1 120.00 75.00 2 assign ( resid 45 and name C ) ( resid 46 and name N ) (resid 46 and name CA ) ( resid 46 and name C ) 1 -60.00 125.00 2 assign ( resid 46 and name N ) ( resid 46 and name CA ) (resid 46 and name C ) ( resid 47 and name N ) 1 65.00 50.00 2 assign ( resid 46 and name C ) ( resid 47 and name N ) (resid 47 and name CA ) ( resid 47 and name C ) 1 -90.00 45.00 2 assign ( resid 47 and name N ) ( resid 47 and name CA ) (resid 47 and name C ) ( resid 48 and name N ) 1 75.00 60.00 2 assign ( resid 47 and name C ) ( resid 48 and name N ) (resid 48 and name CA ) ( resid 48 and name C ) 1 -85.00 40.00 2 assign ( resid 48 and name N ) ( resid 48 and name CA ) (resid 48 and name C ) ( resid 49 and name N ) 1 -45.00 40.00 2 assign ( resid 48 and name C ) ( resid 49 and name N ) (resid 49 and name CA ) ( resid 49 and name C ) 1 90.00 175.00 2 assign ( resid 52 and name C ) ( resid 53 and name N ) (resid 53 and name CA ) ( resid 53 and name C ) 1 -115.00 70.00 2 assign ( resid 53 and name N ) ( resid 53 and name CA ) (resid 53 and name C ) ( resid 54 and name N ) 1 -115.00 140.00 2 assign ( resid 53 and name N ) ( resid 53 and name CA ) (resid 53 and name C ) ( resid 54 and name N ) 1 60.00 145.00 2 assign ( resid 53 and name C ) ( resid 54 and name N ) (resid 54 and name CA ) ( resid 54 and name C ) 1 -100.00 55.00 2 assign ( resid 54 and name N ) ( resid 54 and name CA ) (resid 54 and name C ) ( resid 55 and name N ) 1 -30.00 45.00 2 assign ( resid 54 and name C ) ( resid 55 and name N ) (resid 55 and name CA ) ( resid 55 and name C ) 1 -100.00 55.00 2 assign ( resid 55 and name N ) ( resid 55 and name CA ) (resid 55 and name C ) ( resid 56 and name N ) 1 -105.00 100.00 2 assign ( resid 55 and name N ) ( resid 55 and name CA ) (resid 55 and name C ) ( resid 56 and name N ) 1 55.00 140.00 2 assign ( resid 55 and name C ) ( resid 56 and name N ) (resid 56 and name CA ) ( resid 56 and name C ) 1 -110.00 65.00 2 assign ( resid 56 and name N ) ( resid 56 and name CA ) (resid 56 and name C ) ( resid 57 and name N ) 1 -45.00 40.00 2 assign ( resid 56 and name C ) ( resid 57 and name N ) (resid 57 and name CA ) ( resid 57 and name C ) 1 -75.00 30.00 2 assign ( resid 57 and name N ) ( resid 57 and name CA ) (resid 57 and name C ) ( resid 58 and name N ) 1 -130.00 155.00 2 assign ( resid 57 and name N ) ( 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name CA ) ( resid 61 and name C ) 1 -180.00 135.00 2 assign ( resid 60 and name C ) ( resid 61 and name N ) (resid 61 and name CA ) ( resid 61 and name C ) 1 -55.00 130.00 2 assign ( resid 61 and name N ) ( resid 61 and name CA ) (resid 61 and name C ) ( resid 62 and name N ) 1 55.00 140.00 2 assign ( resid 61 and name C ) ( resid 62 and name N ) (resid 62 and name CA ) ( resid 62 and name C ) 1 -180.00 135.00 2 assign ( resid 61 and name C ) ( resid 62 and name N ) (resid 62 and name CA ) ( resid 62 and name C ) 1 -55.00 130.00 2 assign ( resid 62 and name N ) ( resid 62 and name CA ) (resid 62 and name C ) ( resid 63 and name N ) 1 60.00 145.00 2 assign ( resid 70 and name C ) ( resid 71 and name N ) (resid 71 and name CA ) ( resid 71 and name C ) 1 -175.00 130.00 2 assign ( resid 70 and name C ) ( resid 71 and name N ) (resid 71 and name CA ) ( resid 71 and name C ) 1 -45.00 110.00 2 assign ( resid 71 and name N ) ( resid 71 and name CA ) (resid 71 and name C ) ( resid 72 and name N 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) (resid 78 and name CA ) ( resid 78 and name C ) 1 -75.00 30.00 2 assign ( resid 78 and name N ) ( resid 78 and name CA ) (resid 78 and name C ) ( resid 79 and name N ) 1 -35.00 50.00 2 assign ( resid 80 and name N ) ( resid 80 and name CA ) (resid 80 and name C ) ( resid 81 and name N ) 1 -35.00 20.00 2 assign ( resid 91 and name C ) ( resid 92 and name N ) (resid 92 and name CA ) ( resid 92 and name C ) 1 -180.00 135.00 2 assign ( resid 91 and name C ) ( resid 92 and name N ) (resid 92 and name CA ) ( resid 92 and name C ) 1 -55.00 130.00 2 assign ( resid 92 and name N ) ( resid 92 and name CA ) (resid 92 and name C ) ( resid 93 and name N ) 1 20.00 105.00 2 assign ( resid 92 and name C ) ( resid 93 and name N ) (resid 93 and name CA ) ( resid 93 and name C ) 1 -180.00 135.00 2 assign ( resid 93 and name N ) ( resid 93 and name CA ) (resid 93 and name C ) ( resid 94 and name N ) 1 0.00 145.00 2 assign ( resid 93 and name C ) ( resid 94 and name N ) (resid 94 and name CA ) ( resid 94 and name C ) 1 -180.00 135.00 2 assign ( resid 93 and name C ) ( resid 94 and name N ) (resid 94 and name CA ) ( resid 94 and name C ) 1 -55.00 130.00 2 assign ( resid 94 and name N ) ( resid 94 and name CA ) (resid 94 and name C ) ( resid 95 and name N ) 1 -120.00 165.00 2 assign ( resid 94 and name N ) ( resid 94 and name CA ) (resid 94 and name C ) ( resid 95 and name N ) 1 5.00 90.00 2 assign ( resid 94 and name C ) ( resid 95 and name N ) (resid 95 and name CA ) ( resid 95 and name C ) 1 -180.00 135.00 2 assign ( resid 94 and name C ) ( resid 95 and name N ) (resid 95 and name CA ) ( resid 95 and name C ) 1 -55.00 130.00 2 assign ( resid 95 and name N ) ( resid 95 and name CA ) (resid 95 and name C ) ( resid 96 and name N ) 1 25.00 110.00 2 assign ( resid 95 and name C ) ( resid 96 and name N ) (resid 96 and name CA ) ( resid 96 and name C ) 1 -180.00 135.00 2 assign ( resid 95 and name C ) ( resid 96 and name N ) (resid 96 and name CA ) ( resid 96 and name C ) 1 -55.00 130.00 2 assign ( resid 96 and name N ) ( resid 96 and name CA ) (resid 96 and name C ) ( resid 97 and name N ) 1 55.00 140.00 2 assign ( resid 96 and name C ) ( resid 97 and name N ) (resid 97 and name CA ) ( resid 97 and name C ) 1 -90.00 35.00 2 assign ( resid 97 and name N ) ( resid 97 and name CA ) (resid 97 and name C ) ( resid 98 and name N ) 1 85.00 20.00 2 assign ( resid 97 and name C ) ( resid 98 and name N ) (resid 98 and name CA ) ( resid 98 and name C ) 1 -180.00 135.00 2 assign ( resid 97 and name C ) ( resid 98 and name N ) (resid 98 and name CA ) ( resid 98 and name C ) 1 -55.00 130.00 2 assign ( resid 98 and name N ) ( resid 98 and name CA ) (resid 98 and name C ) ( resid 99 and name N ) 1 10.00 95.00 2 assign ( resid 98 and name C ) ( resid 99 and name N ) (resid 99 and name CA ) ( resid 99 and name C ) 1 -180.00 135.00 2 assign ( resid 98 and name C ) ( resid 99 and name N ) (resid 99 and name CA ) ( resid 99 and name C ) 1 -40.00 115.00 2 assign ( resid 99 and name N ) ( resid 99 and name CA ) (resid 99 and name C ) ( resid 100 and name N ) 1 160.00 45.00 2 assign ( resid 99 and name C ) ( resid 100 and name N ) (resid 100 and name CA ) ( resid 100 and name C ) 1 -180.00 135.00 2 assign ( resid 99 and name C ) ( resid 100 and name N ) (resid 100 and name CA ) ( resid 100 and name C ) 1 -55.00 130.00 2 assign ( resid 100 and name N ) ( resid 100 and name CA ) (resid 100 and name C ) ( resid 101 and name N ) 1 -120.00 115.00 2 assign ( resid 100 and name N ) ( resid 100 and name CA ) (resid 100 and name C ) ( resid 101 and name N ) 1 90.00 115.00 2 assign ( resid 121 and name C ) ( resid 122 and name N ) (resid 122 and name CA ) ( resid 122 and name C ) 1 -180.00 135.00 2 assign ( resid 121 and name C ) ( resid 122 and name N ) (resid 122 and name CA ) ( resid 122 and name C ) 1 -55.00 130.00 2 assign ( resid 122 and name N ) ( resid 122 and name CA ) (resid 122 and name C ) ( resid 123 and name N ) 1 10.00 95.00 2 assign ( resid 122 and name C ) ( resid 123 and name N ) (resid 123 and name CA ) ( resid 123 and name C ) 1 -180.00 135.00 2 assign ( resid 122 and name C ) ( resid 123 and name N ) (resid 123 and name CA ) ( resid 123 and name C ) 1 -40.00 115.00 2 assign ( resid 123 and name N ) ( resid 123 and name CA ) (resid 123 and name C ) ( resid 124 and name N ) 1 35.00 70.00 2 assign ( resid 123 and name C ) ( resid 124 and name N ) (resid 124 and name CA ) ( resid 124 and name C ) 1 -180.00 135.00 2 assign ( resid 123 and name C ) ( resid 124 and name N ) (resid 124 and name CA ) ( resid 124 and name C ) 1 -55.00 130.00 2 assign ( resid 124 and name N ) ( resid 124 and name CA ) (resid 124 and name C ) ( resid 125 and name N ) 1 55.00 140.00 2 assign ( resid 124 and name C ) ( resid 125 and name N ) (resid 125 and name CA ) ( resid 125 and name C ) 1 -180.00 135.00 2 assign ( resid 124 and name C ) ( resid 125 and name N ) (resid 125 and name CA ) ( resid 125 and name C ) 1 -55.00 130.00 2 assign ( resid 125 and name N ) ( resid 125 and name CA ) (resid 125 and name C ) ( resid 126 and name N ) 1 20.00 105.00 2 assign ( resid 4 and name HN ) ( resid 5 and name HN ) 2.66 0.86 0.86 assign ( resid 6 and name HB2 ) ( resid 7 and name HN ) 3.43 1.63 1.63 assign ( resid 6 and name HB1 ) ( resid 7 and name HN ) 3.43 1.63 1.63 assign ( resid 7 and name HN ) ( resid 8 and name HN ) 2.82 1.02 1.02 assign ( resid 9 and name HB ) ( resid 10 and name HN ) 2.42 0.63 0.63 assign ( resid 10 and name HN ) ( resid 11 and name HN ) 2.82 1.02 1.02 assign ( resid 10 and name HB1 ) ( resid 11 and name HN ) 3.02 1.22 1.22 assign ( resid 10 and name HB2 ) ( resid 11 and name HN ) 2.94 1.15 1.15 assign ( resid 11 and name HN ) ( resid 12 and name HN ) 2.60 0.81 0.81 assign ( resid 11 and name HB2 ) ( resid 12 and name HN ) 3.00 1.20 1.20 assign ( resid 11 and name HB1 ) ( resid 12 and name HN ) 2.71 0.91 0.91 assign ( resid 12 and name HB2 ) ( resid 13 and name HN ) 2.94 1.15 1.15 assign ( resid 12 and name HB1 ) ( resid 13 and name HN ) 2.94 1.15 1.15 assign ( resid 13 and name HN ) ( resid 14 and name HN ) 2.75 0.95 0.95 assign ( resid 13 and name HB2 ) ( resid 14 and name HN ) 2.78 0.99 0.99 assign ( resid 13 and name HB1 ) ( resid 14 and name HN ) 2.78 0.99 0.99 assign ( resid 14 and name HN ) ( resid 15 and name HN ) 2.62 0.82 0.82 assign ( resid 16 and name HA ) ( resid 17 and name HN ) 2.62 0.82 0.82 assign ( resid 17 and name HB2 ) ( resid 18 and name HN ) 2.89 1.09 1.09 assign ( resid 17 and name HB1 ) ( resid 18 and name HN ) 3.05 1.26 1.26 assign ( resid 18 and name HN ) ( resid 19 and name HN ) 2.62 0.82 0.82 assign ( resid 18 and name HB2 ) ( resid 19 and name HN ) 2.91 1.11 1.11 assign ( resid 18 and name HB1 ) ( resid 19 and name HN ) 2.91 1.11 1.11 assign ( resid 19 and name HN ) ( resid 20 and name HN ) 2.57 0.77 0.77 assign ( resid 20 and name HB2 ) ( resid 21 and name HN ) 3.52 1.72 1.72 assign ( resid 20 and name HB1 ) ( resid 21 and name HN ) 3.52 1.72 1.72 assign ( resid 22 and name HB2 ) ( 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and name HN ) ( resid 33 and name HN ) 2.66 0.86 0.86 assign ( resid 32 and name HB2 ) ( resid 33 and name HN ) 2.96 1.17 1.17 assign ( resid 35 and name HN ) ( resid 36 and name HN ) 2.66 0.86 0.86 assign ( resid 35 and name HB1 ) ( resid 36 and name HN ) 2.85 1.06 1.06 assign ( resid 36 and name HN ) ( resid 36 and name HB1 ) 2.84 1.04 1.04 assign ( resid 36 and name HB2 ) ( resid 37 and name HN ) 3.27 1.47 1.47 assign ( resid 36 and name HB1 ) ( resid 37 and name HN ) 3.27 1.47 1.47 assign ( resid 37 and name HN ) ( resid 38 and name HN ) 2.64 0.84 0.84 assign ( resid 38 and name HN ) ( resid 39 and name HN ) 2.62 0.82 0.82 assign ( resid 41 and name HB2 ) ( resid 42 and name HN ) 3.07 1.27 1.27 assign ( resid 41 and name HB1 ) ( resid 42 and name HN ) 3.07 1.27 1.27 assign ( resid 42 and name HN ) ( resid 43 and name HN ) 2.67 0.88 0.88 assign ( resid 43 and name HN ) ( resid 44 and name HN ) 2.66 0.86 0.86 assign ( resid 44 and name HN ) ( resid 45 and name HN ) 2.75 0.95 0.95 assign ( resid 44 and name HB2 ) ( resid 45 and name HN ) 3.05 1.26 1.26 assign ( resid 44 and name HB1 ) ( resid 45 and name HN ) 3.05 1.26 1.26 assign ( resid 46 and name HN ) ( resid 47 and name HN ) 2.71 0.91 0.91 assign ( resid 47 and name HA ) ( resid 48 and name HN ) 2.37 0.57 0.57 assign ( resid 47 and name HB2 ) ( resid 48 and name HN ) 3.09 1.29 1.29 assign ( resid 49 and name HB2 ) ( resid 50 and name HN ) 3.29 1.49 1.49 assign ( resid 49 and name HB1 ) ( resid 50 and name HN ) 3.29 1.49 1.49 assign ( resid 50 and name HN ) ( resid 51 and name HN ) 2.48 0.68 0.68 assign ( resid 51 and name HN ) ( resid 52 and name HN ) 2.64 0.84 0.84 assign ( resid 51 and name HB ) ( resid 52 and name HN ) 2.94 1.15 1.15 assign ( resid 53 and name HB2 ) ( resid 54 and name HN ) 2.94 1.15 1.15 assign ( resid 53 and name HB1 ) ( resid 54 and name HN ) 2.94 1.15 1.15 assign ( resid 54 and name HN ) ( resid 55 and name HN ) 2.66 0.86 0.86 assign ( resid 55 and name HB2 ) ( resid 56 and name HN ) 2.84 1.04 1.04 assign ( resid 55 and name HB1 ) ( resid 56 and name HN ) 2.84 1.04 1.04 assign ( resid 56 and name HN ) ( resid 57 and name HN ) 2.62 0.82 0.82 assign ( resid 57 and name HB2 ) ( resid 58 and name HN ) 3.16 1.36 1.36 assign ( resid 57 and name HB1 ) ( resid 58 and name HN ) 3.16 1.36 1.36 assign ( resid 60 and name HN ) ( resid 61 and name HN ) 3.18 1.38 1.38 assign ( resid 60 and name HB2 ) ( resid 61 and name HN ) 3.00 1.20 1.20 assign ( resid 60 and name HB1 ) ( resid 61 and name HN ) 3.12 1.33 1.33 assign ( resid 61 and name HA ) ( resid 62 and name HN ) 2.60 0.81 0.81 assign ( resid 61 and name HB2 ) ( resid 62 and name HN ) 3.29 1.49 1.49 assign ( resid 61 and name HB1 ) ( resid 62 and name HN ) 3.29 1.49 1.49 assign ( resid 63 and name HN ) ( resid 64 and name HN ) 2.82 1.02 1.02 assign ( resid 64 and name HB2 ) ( resid 65 and name HN ) 3.14 1.35 1.35 assign ( resid 64 and name HB1 ) ( resid 65 and name HN ) 3.14 1.35 1.35 assign ( resid 65 and name HN ) ( resid 66 and name HN ) 2.69 0.90 0.90 assign ( resid 65 and name HB2 ) ( resid 66 and name HN ) 2.89 1.09 1.09 assign ( resid 65 and name HB1 ) ( resid 66 and name HN ) 3.05 1.26 1.26 assign ( resid 66 and name HN ) ( resid 67 and name HN ) 2.69 0.90 0.90 assign ( resid 66 and name HB2 ) ( resid 67 and name HN ) 3.03 1.24 1.24 assign ( resid 66 and name HB1 ) ( resid 67 and name HN ) 3.03 1.24 1.24 assign ( resid 68 and name HN ) ( resid 69 and name HN ) 2.66 0.86 0.86 assign ( resid 71 and name HB2 ) ( resid 72 and name HN ) 2.96 1.17 1.17 assign ( resid 72 and name HN ) ( resid 73 and name HN ) 2.69 0.90 0.90 assign ( resid 73 and name HN ) ( resid 74 and name HN ) 2.62 0.82 0.82 assign ( resid 73 and name HB2 ) ( resid 74 and name HN ) 3.12 1.33 1.33 assign ( resid 75 and name HN ) ( resid 76 and name HN ) 2.39 0.59 0.59 assign ( resid 77 and name HN ) ( resid 78 and name HN ) 2.67 0.88 0.88 assign ( resid 78 and name HN ) ( resid 79 and name HN ) 2.58 0.79 0.79 assign ( resid 78 and name HB2 ) ( resid 79 and name HN ) 2.80 1.00 1.00 assign ( resid 78 and name HB1 ) ( resid 79 and name HN ) 2.94 1.15 1.15 assign ( resid 82 and name HB2 ) ( resid 83 and name HN ) 3.09 1.29 1.29 assign ( resid 82 and name HB1 ) ( resid 83 and name HN ) 3.09 1.29 1.29 assign ( resid 83 and name HN ) ( resid 84 and name HN ) 2.64 0.84 0.84 assign ( resid 85 and name HB2 ) ( resid 86 and name HN ) 2.98 1.18 1.18 assign ( resid 85 and name HB1 ) ( resid 86 and name HN ) 2.98 1.18 1.18 assign ( resid 87 and name HN ) ( resid 88 and name HN ) 2.75 0.95 0.95 assign ( resid 87 and name HB2 ) ( resid 88 and name HN ) 3.25 1.45 1.45 assign ( resid 88 and name HB ) ( resid 89 and name HN ) 2.78 0.99 0.99 assign ( resid 89 and name HN ) ( resid 90 and name HN ) 2.73 0.93 0.93 assign ( resid 89 and name HB2 ) ( resid 90 and name HN ) 2.91 1.11 1.11 assign ( resid 89 and name HB1 ) ( resid 90 and name HN ) 3.21 1.42 1.42 assign ( resid 90 and name HB2 ) ( resid 91 and name HN ) 3.20 1.40 1.40 assign ( resid 90 and name HB1 ) ( resid 91 and name HN ) 3.20 1.40 1.40 assign ( resid 92 and name HN ) ( resid 93 and name HN ) 2.75 0.95 0.95 assign ( resid 94 and name HN ) ( resid 95 and name HN ) 2.64 0.84 0.84 assign ( resid 97 and name HB2 ) ( resid 98 and name HN ) 3.34 1.54 1.54 assign ( resid 97 and name HB1 ) ( resid 98 and name HN ) 3.34 1.54 1.54 assign ( resid 98 and name HB2 ) ( resid 99 and name HN ) 3.25 1.45 1.45 assign ( resid 98 and name HB1 ) ( resid 99 and name HN ) 3.25 1.45 1.45 assign ( resid 99 and name HN ) ( resid 100 and name HN ) 3.57 1.78 1.78 assign ( resid 99 and name HB2 ) ( resid 100 and name HN ) 3.34 1.54 1.54 assign ( resid 99 and name HB1 ) ( resid 100 and name HN ) 3.09 1.29 1.29 assign ( resid 100 and name HA ) ( resid 101 and name HN ) 2.53 0.73 0.73 assign ( resid 101 and name HN ) ( resid 102 and name HN ) 2.69 0.90 0.90 assign ( resid 102 and name HN ) ( resid 103 and name HN ) 2.51 0.72 0.72 assign ( resid 104 and name HN ) ( resid 105 and name HN 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116 and name HN ) ( resid 117 and name HN ) 2.53 0.73 0.73 assign ( resid 116 and name HB ) ( resid 117 and name HN ) 2.37 0.57 0.57 assign ( resid 119 and name HB ) ( resid 120 and name HN ) 2.62 0.82 0.82 assign ( resid 120 and name HN ) ( resid 121 and name HN ) 2.57 0.77 0.77 assign ( resid 120 and name HB2 ) ( resid 121 and name HN ) 2.93 1.13 1.13 assign ( resid 120 and name HB1 ) ( resid 121 and name HN ) 2.93 1.13 1.13 assign ( resid 121 and name HB2 ) ( resid 122 and name HN ) 3.11 1.31 1.31 assign ( resid 121 and name HB1 ) ( resid 122 and name HN ) 3.11 1.31 1.31 assign ( resid 123 and name HN ) ( resid 124 and name HN ) 2.58 0.79 0.79 assign ( resid 123 and name HA ) ( resid 124 and name HN ) 2.55 0.75 0.75 assign ( resid 125 and name HN ) ( resid 126 and name HN ) 2.75 0.95 0.95 assign ( resid 10 and name HN ) ( resid 10 and name HB1 ) 2.82 1.02 1.02 assign ( resid 10 and name HN ) ( resid 10 and name HB2 ) 2.66 0.86 0.86 assign ( resid 11 and name HN ) ( resid 11 and name HB2 ) 2.58 0.79 0.79 assign ( resid 11 and name HN ) ( resid 11 and name HB1 ) 2.66 0.86 0.86 assign ( resid 13 and name HN ) ( resid 13 and name HB2 ) 2.82 1.02 1.02 assign ( resid 13 and name HN ) ( resid 13 and name HB1 ) 2.82 1.02 1.02 assign ( resid 15 and name HN ) ( resid 15 and name HB2 ) 2.80 1.00 1.00 assign ( resid 17 and name HN ) ( resid 17 and name HB2 ) 2.58 0.79 0.79 assign ( resid 17 and name HN ) ( resid 17 and name HB1 ) 2.73 0.93 0.93 assign ( resid 18 and name HN ) ( resid 18 and name HB2 ) 2.73 0.93 0.93 assign ( resid 18 and name HN ) ( resid 18 and name HB1 ) 2.73 0.93 0.93 assign ( resid 20 and name HN ) ( resid 20 and name HB1 ) 2.64 0.84 0.84 assign ( resid 22 and name HN ) ( resid 22 and name HB2 ) 2.60 0.81 0.81 assign ( resid 23 and name HN ) ( resid 23 and name HB2 ) 2.55 0.75 0.75 assign ( resid 25 and name HN ) ( resid 25 and name HB1 ) 2.76 0.97 0.97 assign ( resid 25 and name HN ) ( resid 25 and name HB2 ) 2.58 0.79 0.79 assign ( resid 27 and name HN ) ( resid 27 and name HB2 ) 2.80 1.00 1.00 assign ( resid 31 and name HN ) ( resid 31 and name HB2 ) 2.64 0.84 0.84 assign ( resid 31 and name HN ) ( resid 31 and name HB1 ) 2.64 0.84 0.84 assign ( resid 32 and name HN ) ( resid 32 and name HB2 ) 2.76 0.97 0.97 assign ( resid 35 and name HN ) ( resid 35 and name HB2 ) 2.87 1.08 1.08 assign ( resid 36 and name HN ) ( resid 36 and name HB2 ) 2.84 1.04 1.04 assign ( resid 40 and name HN ) ( resid 40 and name HB2 ) 2.49 0.70 0.70 assign ( resid 41 and name HN ) ( resid 41 and name HB2 ) 2.93 1.13 1.13 assign ( resid 44 and name HN ) ( resid 44 and name HB1 ) 2.82 1.02 1.02 assign ( resid 45 and name HN ) ( resid 45 and name HB1 ) 2.67 0.88 0.88 assign ( resid 47 and name HN ) ( resid 47 and name HB2 ) 2.55 0.75 0.75 assign ( resid 47 and name HN ) ( resid 47 and name HB1 ) 2.67 0.88 0.88 assign ( resid 55 and name HN ) ( resid 55 and name HB1 ) 2.53 0.73 0.73 assign ( resid 57 and name HN ) ( resid 57 and name HB1 ) 2.51 0.72 0.72 assign ( resid 59 and name HN ) ( resid 59 and name HB2 ) 2.64 0.84 0.84 assign ( resid 60 and name HN ) ( resid 60 and name HB2 ) 2.78 0.99 0.99 assign ( resid 60 and name HN ) ( resid 60 and name HB1 ) 2.84 1.04 1.04 assign ( resid 65 and name HN ) ( resid 65 and name HB2 ) 2.67 0.88 0.88 assign ( resid 65 and name HN ) ( resid 65 and name HB1 ) 2.87 1.08 1.08 assign ( resid 66 and name HN ) ( resid 66 and name HB1 ) 2.84 1.04 1.04 assign ( resid 67 and name HN ) ( resid 67 and name HB2 ) 2.48 0.68 0.68 assign ( resid 69 and name HN ) ( resid 69 and name HB2 ) 2.84 1.04 1.04 assign ( resid 69 and name HN ) ( resid 69 and name HB1 ) 2.84 1.04 1.04 assign ( resid 79 and name HN ) ( resid 79 and name HB ) 2.58 0.79 0.79 assign ( resid 82 and name HN ) ( resid 82 and name HB2 ) 2.93 1.13 1.13 assign ( resid 82 and name HN ) ( resid 82 and name HB1 ) 2.93 1.13 1.13 assign ( resid 85 and name HN ) ( resid 85 and name HB2 ) 2.93 1.13 1.13 assign ( resid 85 and name HN ) ( resid 85 and name HB1 ) 2.93 1.13 1.13 assign ( resid 87 and name HN ) ( resid 87 and name HB2 ) 2.67 0.88 0.88 assign ( resid 87 and name HN ) ( resid 87 and name HB1 ) 2.64 0.84 0.84 assign ( resid 88 and name HN ) ( resid 88 and name HB ) 2.58 0.79 0.79 assign ( resid 89 and name HN ) ( resid 89 and name HB2 ) 2.69 0.90 0.90 assign ( resid 89 and name HN ) ( resid 89 and name HB1 ) 2.82 1.02 1.02 assign ( resid 90 and name HN ) ( resid 90 and name HB2 ) 2.69 0.90 0.90 assign ( resid 90 and name HN ) ( resid 90 and name HB1 ) 2.69 0.90 0.90 assign ( resid 95 and name HN ) ( resid 95 and name HB2 ) 2.93 1.13 1.13 assign ( resid 95 and name HN ) ( resid 95 and name HB1 ) 2.93 1.13 1.13 assign ( resid 98 and name HN ) ( resid 98 and name HB2 ) 2.96 1.17 1.17 assign ( resid 98 and name HN ) ( resid 98 and name HB1 ) 2.96 1.17 1.17 assign ( resid 99 and name HN ) ( resid 99 and name HB2 ) 2.64 0.84 0.84 assign ( resid 100 and name HN ) ( resid 100 and name HB2 ) 2.87 1.08 1.08 assign ( resid 100 and name HN ) ( resid 100 and name HB1 ) 2.87 1.08 1.08 assign ( resid 102 and name HN ) ( resid 102 and name HB1 ) 2.46 0.66 0.66 assign ( resid 104 and name HN ) ( resid 104 and name HB ) 2.48 0.68 0.68 assign ( resid 107 and name HN ) ( resid 107 and name HB1 ) 2.84 1.04 1.04 assign ( resid 108 and name HN ) ( resid 108 and name HB2 ) 3.00 1.20 1.20 assign ( resid 108 and name HN ) ( resid 108 and name HB1 ) 3.00 1.20 1.20 assign ( resid 110 and name HN ) ( resid 110 and name HB2 ) 2.64 0.84 0.84 assign ( resid 110 and name HN ) ( resid 110 and name HB1 ) 2.78 0.99 0.99 assign ( resid 112 and name HN ) ( resid 112 and name HB2 ) 2.60 0.81 0.81 assign ( resid 112 and name HN ) ( resid 112 and name HB1 ) 2.60 0.81 0.81 assign ( resid 113 and name HN ) ( resid 113 and name HB1 ) 2.64 0.84 0.84 assign ( resid 119 and name HN ) ( resid 119 and name HB ) 2.49 0.70 0.70 assign ( resid 121 and name HN ) ( resid 121 and name HB2 ) 2.62 0.82 0.82 assign ( resid 124 and name HN ) ( resid 124 and name HB1 ) 2.73 0.93 0.93 assign ( resid 125 and name HN ) ( resid 125 and name HB2 ) 2.73 0.93 0.93 assign ( resid 125 and name HN ) ( resid 125 and name HB1 ) 2.73 0.93 0.93 assign ( resid 126 and name HN ) ( resid 126 and name HB2 ) 2.89 1.09 1.09 assign ( resid 126 and name HN ) ( resid 126 and name HB1 ) 2.89 1.09 1.09 assign ( resid 5 and name HN ) ( resid 6 and name HN ) 3.30 1.51 1.51 assign ( resid 6 and name HN ) ( resid 7 and name HN ) 2.78 0.99 0.99 assign ( resid 8 and name HN ) ( resid 9 and name HN ) 2.58 0.79 0.79 assign ( resid 9 and name HN ) ( resid 10 and name HN ) 2.64 0.84 0.84 assign ( resid 15 and name HN ) ( resid 16 and name HN ) 2.64 0.84 0.84 assign ( resid 16 and name HN ) ( resid 17 and name HN ) 2.57 0.77 0.77 assign ( resid 17 and name HN ) ( resid 18 and name HN ) 2.62 0.82 0.82 assign ( resid 20 and name HN ) ( resid 21 and name HN ) 2.49 0.70 0.70 assign ( resid 21 and name HN ) ( resid 22 and name HN ) 2.55 0.75 0.75 assign ( resid 22 and name HN ) ( resid 23 and name HN ) 3.09 1.29 1.29 assign ( resid 23 and name HN ) ( resid 24 and name HN ) 2.55 0.75 0.75 assign ( resid 26 and name HN ) ( resid 27 and name HN ) 2.69 0.90 0.90 assign ( resid 30 and name HN ) ( resid 31 and name HN ) 2.71 0.91 0.91 assign ( resid 31 and name HN ) ( resid 32 and name HN ) 2.80 1.00 1.00 assign ( resid 33 and name HN ) ( resid 34 and name HN ) 2.64 0.84 0.84 assign ( resid 34 and name HN ) ( resid 35 and name HN ) 2.64 0.84 0.84 assign ( resid 36 and name HN ) ( resid 37 and name HN ) 2.78 0.99 0.99 assign ( resid 39 and name HN ) ( resid 40 and name HN ) 2.76 0.97 0.97 assign ( resid 40 and name HN ) ( resid 41 and name HN ) 2.51 0.72 0.72 assign ( resid 41 and name HN ) ( resid 42 and name HN ) 2.64 0.84 0.84 assign ( resid 45 and name HN ) ( resid 46 and name HN ) 2.55 0.75 0.75 assign ( resid 47 and name HN ) ( resid 48 and name HN ) 2.98 1.18 1.18 assign ( resid 48 and name HN ) ( resid 49 and name HN ) 2.69 0.90 0.90 assign ( resid 49 and name HN ) ( resid 50 and name HN ) 2.67 0.88 0.88 assign ( resid 52 and name HN ) ( resid 53 and name HN ) 2.57 0.77 0.77 assign ( resid 58 and name HN ) ( resid 59 and name HN ) 2.57 0.77 0.77 assign ( resid 59 and name HN ) ( resid 60 and name HN ) 3.03 1.24 1.24 assign ( resid 62 and name HN ) ( resid 63 and name HN ) 3.14 1.35 1.35 assign ( resid 64 and name HN ) ( resid 65 and name HN ) 2.66 0.86 0.86 assign ( resid 67 and name HN ) ( resid 68 and name HN ) 2.60 0.81 0.81 assign ( resid 69 and name HN ) ( resid 70 and name HN ) 2.75 0.95 0.95 assign ( resid 70 and name HN ) ( resid 71 and name HN ) 2.55 0.75 0.75 assign ( resid 74 and name HN ) ( resid 75 and name HN ) 2.62 0.82 0.82 assign ( resid 76 and name HN ) ( resid 77 and name HN ) 3.09 1.29 1.29 assign ( resid 81 and name HN ) ( resid 82 and name HN ) 2.51 0.72 0.72 assign ( resid 82 and name HN ) ( resid 83 and name HN ) 2.73 0.93 0.93 assign ( resid 84 and name HN ) ( resid 85 and name HN ) 2.62 0.82 0.82 assign ( resid 85 and name HN ) ( resid 86 and name HN ) 2.62 0.82 0.82 assign ( resid 88 and name HN ) ( resid 89 and name HN ) 2.78 0.99 0.99 assign ( resid 90 and name HN ) ( resid 91 and name HN ) 2.75 0.95 0.95 assign ( resid 91 and name HN ) ( resid 92 and name HN ) 2.73 0.93 0.93 assign ( resid 93 and name HN ) ( resid 94 and name HN ) 2.85 1.06 1.06 assign ( resid 95 and name HN ) ( resid 96 and name HN ) 2.80 1.00 1.00 assign ( resid 97 and name HN ) ( resid 98 and name HN ) 2.91 1.11 1.11 assign ( resid 100 and name HN ) ( resid 101 and name HN ) 3.48 1.69 1.69 assign ( resid 103 and name HN ) ( resid 104 and name HN ) 2.58 0.79 0.79 assign ( resid 107 and name HN ) ( resid 108 and name HN ) 2.66 0.86 0.86 assign ( resid 108 and name HN ) ( resid 109 and name HN ) 2.71 0.91 0.91 assign ( resid 110 and name HN ) ( resid 111 and name HN ) 2.60 0.81 0.81 assign ( resid 112 and name HN ) ( resid 113 and name HN ) 2.73 0.93 0.93 assign ( resid 117 and name HN ) ( resid 118 and name HN ) 2.58 0.79 0.79 assign ( resid 118 and name HN ) ( resid 119 and name HN ) 2.60 0.81 0.81 assign ( resid 119 and name HN ) ( resid 120 and name HN ) 2.67 0.88 0.88 assign ( resid 121 and name HN ) ( resid 122 and name HN ) 2.58 0.79 0.79 assign ( resid 122 and name HN ) ( resid 123 and name HN ) 2.57 0.77 0.77 assign ( resid 6 and name HA ) ( resid 9 and name HN ) 2.93 1.13 1.13 assign ( resid 8 and name HA ) ( resid 10 and name HN ) 3.50 1.71 1.71 assign ( resid 7 and name HA ) ( resid 10 and name HN ) 3.07 1.27 1.27 assign ( resid 6 and name HA ) ( resid 10 and name HN ) 3.52 1.72 1.72 assign ( resid 10 and name HN ) ( resid 12 and name HN ) 3.34 1.54 1.54 assign ( resid 11 and name HN ) ( resid 33 and name HA ) 3.30 1.51 1.51 assign ( resid 10 and name HA ) ( resid 12 and name HN ) 3.43 1.63 1.63 assign ( resid 10 and name HA ) ( resid 13 and name HN ) 3.05 1.26 1.26 assign ( resid 9 and name HA ) ( resid 13 and name HN ) 3.39 1.60 1.60 assign ( resid 10 and name HA ) ( resid 14 and name HN ) 3.32 1.53 1.53 assign ( resid 14 and name HN ) ( resid 16 and name HN ) 3.18 1.38 1.38 assign ( resid 13 and name HA ) ( resid 16 and name HN ) 2.98 1.18 1.18 assign ( resid 16 and name HN ) ( resid 18 and name HN ) 3.30 1.51 1.51 assign ( resid 14 and name HA ) ( resid 17 and name HN ) 2.91 1.11 1.11 assign ( resid 13 and name HA ) ( resid 17 and name HN ) 2.89 1.09 1.09 assign ( resid 16 and name HA ) ( resid 18 and name HN ) 3.16 1.36 1.36 assign ( resid 14 and name HA ) ( resid 18 and name HN ) 3.50 1.71 1.71 assign ( resid 24 and name HN ) ( resid 26 and name HN ) 3.00 1.20 1.20 assign ( resid 25 and name HN ) ( resid 27 and name HN ) 3.38 1.58 1.58 assign ( resid 24 and name HA ) ( resid 26 and name HN ) 3.56 1.76 1.76 assign ( resid 23 and name HA ) ( resid 26 and name HN ) 2.89 1.09 1.09 assign ( resid 24 and name HA ) ( resid 27 and name HN ) 3.16 1.36 1.36 assign ( resid 23 and name HA ) ( resid 27 and name HN ) 3.30 1.51 1.51 assign ( resid 25 and name HA ) ( resid 28 and name HN ) 3.00 1.20 1.20 assign ( resid 24 and name HA ) ( resid 28 and name HN ) 3.75 1.96 1.96 assign ( resid 28 and name HN ) ( resid 30 and name HN ) 3.72 1.92 1.92 assign ( resid 26 and name HA ) ( resid 29 and name HN ) 3.07 1.27 1.27 assign ( resid 28 and name HA ) ( resid 31 and name HN ) 2.71 0.91 0.91 assign ( resid 31 and name HA ) ( resid 33 and name HN ) 3.43 1.63 1.63 assign ( resid 29 and name HA ) ( resid 33 and name HN ) 3.38 1.58 1.58 assign ( resid 33 and name HN ) ( resid 35 and name HN ) 3.59 1.80 1.80 assign ( resid 32 and name HA ) ( resid 35 and name HN ) 2.94 1.15 1.15 assign ( resid 33 and name HA ) ( resid 36 and name HN ) 3.03 1.24 1.24 assign ( resid 32 and name HA ) ( resid 36 and name HN ) 3.36 1.56 1.56 assign ( resid 34 and name HA ) ( resid 37 and name HN ) 2.91 1.11 1.11 assign ( resid 7 and name HA ) ( resid 37 and name HN ) 3.48 1.69 1.69 assign ( resid 35 and name HA ) ( resid 38 and name HN ) 3.27 1.47 1.47 assign ( resid 36 and name HA ) ( resid 39 and name HN ) 2.94 1.15 1.15 assign ( resid 38 and name HA ) ( resid 41 and name HN ) 2.67 0.88 0.88 assign ( resid 39 and name HA ) ( resid 42 and name HN ) 3.11 1.31 1.31 assign ( resid 40 and name HA ) ( resid 43 and name HN ) 3.02 1.22 1.22 assign ( resid 39 and name HA ) ( resid 43 and name HN ) 3.50 1.71 1.71 assign ( resid 63 and name HA ) ( resid 65 and name HN ) 3.02 1.22 1.22 assign ( resid 65 and name HN ) ( resid 67 and name HN ) 3.66 1.87 1.87 assign ( resid 63 and name HA ) ( resid 66 and name HN ) 2.87 1.08 1.08 assign ( resid 64 and name HA ) ( resid 67 and name HN ) 2.91 1.11 1.11 assign ( resid 63 and name HA ) ( resid 67 and name HN ) 3.65 1.85 1.85 assign ( resid 64 and name HA ) ( resid 68 and name HN ) 3.16 1.36 1.36 assign ( resid 67 and name HA ) ( resid 69 and name HN ) 3.83 2.03 2.03 assign ( resid 69 and name HN ) ( resid 71 and name HN ) 3.21 1.42 1.42 assign ( resid 67 and name HA ) ( resid 70 and name HN ) 3.30 1.51 1.51 assign ( resid 68 and name HA ) ( resid 71 and name HN ) 3.09 1.29 1.29 assign ( resid 79 and name HA ) ( resid 81 and name HN ) 3.59 1.80 1.80 assign ( resid 81 and name HN ) ( resid 83 and name HN ) 3.30 1.51 1.51 assign ( resid 79 and name HA ) ( resid 82 and name HN ) 3.07 1.27 1.27 assign ( resid 81 and name HA ) ( resid 83 and name HN ) 3.61 1.81 1.81 assign ( resid 80 and name HA ) ( resid 83 and name HN ) 3.07 1.27 1.27 assign ( resid 79 and name HA ) ( resid 83 and name HN ) 3.29 1.49 1.49 assign ( resid 82 and name HA ) ( resid 84 and name HN ) 3.61 1.81 1.81 assign ( resid 82 and name HN ) ( resid 84 and name HN ) 3.36 1.56 1.56 assign ( resid 80 and name HA ) ( resid 84 and name HN ) 3.34 1.54 1.54 assign ( resid 82 and name HA ) ( resid 85 and name HN ) 3.11 1.31 1.31 assign ( resid 83 and name HA ) ( resid 86 and name HN ) 2.85 1.06 1.06 assign ( resid 86 and name HN ) ( resid 88 and name HN ) 3.90 2.10 2.10 assign ( resid 84 and name HA ) ( resid 87 and name HN ) 3.00 1.20 1.20 assign ( resid 83 and name HA ) ( resid 87 and name HN ) 3.09 1.29 1.29 assign ( resid 85 and name HA ) ( resid 88 and name HN ) 3.38 1.58 1.58 assign ( resid 84 and name HA ) ( resid 88 and name HN ) 3.38 1.58 1.58 assign ( resid 86 and name HA ) ( resid 89 and name HN ) 3.09 1.29 1.29 assign ( resid 89 and name HN ) ( resid 91 and name HN ) 3.90 2.10 2.10 assign ( resid 101 and name HA ) ( resid 103 and name HN ) 3.88 2.08 2.08 assign ( resid 103 and name HN ) ( resid 105 and name HN ) 3.20 1.40 1.40 assign ( resid 103 and name HA ) ( resid 105 and name HN ) 3.43 1.63 1.63 assign ( resid 102 and name HA ) ( resid 105 and name HN ) 2.96 1.17 1.17 assign ( resid 101 and name HA ) ( resid 105 and name HN ) 3.20 1.40 1.40 assign ( resid 106 and name HN ) ( resid 108 and name HN ) 3.70 1.90 1.90 assign ( resid 104 and name HA ) ( resid 107 and name HN ) 3.11 1.31 1.31 assign ( resid 104 and name HA ) ( resid 108 and name HN ) 3.86 2.07 2.07 assign ( resid 107 and name HN ) ( resid 109 and name HN ) 3.36 1.56 1.56 assign ( resid 105 and name HA ) ( resid 109 and name HN ) 3.66 1.87 1.87 assign ( resid 108 and name HA ) ( resid 110 and name HN ) 3.43 1.63 1.63 assign ( resid 107 and name HA ) ( resid 110 and name HN ) 2.94 1.15 1.15 assign ( resid 110 and name HN ) ( resid 112 and name HN ) 3.32 1.53 1.53 assign ( resid 108 and name HA ) ( resid 111 and name HN ) 2.87 1.08 1.08 assign ( resid 108 and name HA ) ( resid 112 and name HN ) 3.36 1.56 1.56 assign ( resid 112 and name HA ) ( resid 115 and name HN ) 3.12 1.33 1.33 assign ( resid 115 and name HN ) ( resid 117 and name HN ) 3.21 1.42 1.42 assign ( resid 114 and name HN ) ( resid 116 and name HN ) 3.45 1.65 1.65 assign ( resid 113 and name HA ) ( resid 116 and name HN ) 3.25 1.45 1.45 assign ( resid 112 and name HA ) ( resid 116 and name HN ) 3.00 1.20 1.20 assign ( resid 115 and name HA ) ( resid 118 and name HN ) 2.66 0.86 0.86 assign ( resid 116 and name HA ) ( resid 119 and name HN ) 2.89 1.09 1.09 assign ( resid 116 and name HA ) ( resid 120 and name HN ) 3.20 1.40 1.40 assign ( resid 118 and name HA ) ( resid 121 and name HN ) 3.09 1.29 1.29 assign ( resid 119 and name HA ) ( resid 122 and name HN ) 2.93 1.13 1.13 assign ( resid 3 and name HA ) ( resid 5 and name HN ) 3.66 1.87 1.87 assign ( resid 5 and name HN ) ( resid 8 and name HB* ) 3.42 1.62 1.62 assign ( resid 6 and name HN ) ( resid 9 and name HB ) 3.48 1.69 1.69 assign ( resid 5 and name HA ) ( resid 7 and name HN ) 3.30 1.51 1.51 assign ( resid 8 and name HN ) ( resid 9 and name HB ) 3.43 1.63 1.63 assign ( resid 5 and name HB ) ( resid 8 and name HN ) 3.36 1.56 1.56 assign ( resid 5 and name HN ) ( resid 8 and name HN ) 3.27 1.47 1.47 assign ( resid 5 and name HN ) ( resid 9 and name HN ) 3.30 1.51 1.51 assign ( resid 19 and name HA ) ( resid 21 and name HN ) 3.27 1.47 1.47 assign ( resid 19 and name HB* ) ( resid 21 and name HN ) 4.01 2.22 2.22 assign ( resid 18 and name HA ) ( resid 21 and name HN ) 3.00 1.20 1.20 assign ( resid 20 and name HB1 ) ( resid 22 and name HN ) 3.20 1.40 1.40 assign ( resid 20 and name HB2 ) ( resid 22 and name HN ) 3.20 1.40 1.40 assign ( resid 18 and name HA ) ( resid 22 and name HN ) 3.02 1.22 1.22 assign ( resid 20 and name HN ) ( resid 22 and name HN ) 2.96 1.17 1.17 assign ( resid 22 and name HA ) ( resid 24 and name HN ) 3.14 1.35 1.35 assign ( resid 43 and name HA ) ( resid 46 and name HN ) 2.93 1.13 1.13 assign ( resid 42 and name HA ) ( resid 47 and name HN ) 2.98 1.18 1.18 assign ( resid 49 and name HN ) ( resid 51 and name HN ) 3.38 1.58 1.58 assign ( resid 47 and name HA ) ( resid 49 and name HN ) 3.23 1.44 1.44 assign ( resid 49 and name HA ) ( resid 52 and name HN ) 3.23 1.44 1.44 assign ( resid 51 and name HA ) ( resid 54 and name HN ) 3.18 1.38 1.38 assign ( resid 53 and name HA ) ( resid 55 and name HN ) 3.11 1.31 1.31 assign ( resid 61 and name HN ) ( resid 64 and name HN ) 3.45 1.65 1.65 assign ( resid 69 and name HN ) ( resid 70 and name HB2 ) 3.90 2.10 2.10 assign ( resid 72 and name HA ) ( resid 74 and name HN ) 3.09 1.29 1.29 assign ( resid 72 and name HA ) ( resid 75 and name HN ) 3.09 1.29 1.29 assign ( resid 73 and name HA ) ( resid 76 and name HN ) 2.80 1.00 1.00 assign ( resid 76 and name HA ) ( resid 78 and name HN ) 3.14 1.35 1.35 assign ( resid 98 and name HN ) ( resid 99 and name HN ) 2.55 0.75 0.75 assign ( resid 100 and name HB1 ) ( resid 102 and name HN ) 3.34 1.54 1.54 assign ( resid 100 and name HB2 ) ( resid 102 and name HN ) 3.34 1.54 1.54 assign ( resid 105 and name HN ) ( resid 106 and name HB* ) 3.78 1.98 1.98 assign ( resid 109 and name HN ) ( resid 111 and name HN ) 3.21 1.42 1.42 assign ( resid 106 and name HA ) ( resid 109 and name HN ) 3.02 1.22 1.22 assign ( resid 116 and name HA ) ( resid 117 and name HN ) 2.67 0.88 0.88 assign ( resid 121 and name HN ) ( resid 122 and name HB* ) 3.96 2.17 2.17 assign ( resid 86 and name HN ) ( resid 87 and name HN ) 2.67 0.88 0.88 assign ( resid 117 and name HA ) ( resid 120 and name HN ) 3.09 1.29 1.29 assign ( resid 48 and name HA ) ( resid 52 and name HN ) 2.80 1.00 1.00 assign ( resid 12 and name HG* ) ( resid 13 and name HN ) 4.34 2.54 2.54 assign ( resid 13 and name HG2 ) ( resid 14 and name HN ) 3.90 2.10 2.10 assign ( resid 13 and name HG1 ) ( resid 14 and name HN ) 3.90 2.10 2.10 assign ( resid 20 and name HG* ) ( resid 21 and name HN ) 4.34 2.54 2.54 assign ( resid 41 and name HG ) ( resid 42 and name HN ) 3.57 1.78 1.78 assign ( resid 55 and name HG2 ) ( resid 56 and name HN ) 3.90 2.10 2.10 assign ( resid 55 and name HG1 ) ( resid 56 and name HN ) 3.90 2.10 2.10 assign ( resid 59 and name HG* ) ( resid 60 and name HN ) 4.34 2.54 2.54 assign ( resid 82 and name HG ) ( resid 83 and name HN ) 3.70 1.90 1.90 assign ( resid 96 and name HG* ) ( resid 97 and name HN ) 4.34 2.54 2.54 assign ( resid 108 and name HG* ) ( resid 109 and name HN ) 4.27 2.47 2.47 assign ( resid 114 and name HG ) ( resid 115 and name HN ) 3.72 1.92 1.92 assign ( resid 116 and name HG12 ) ( resid 117 and name HN ) 3.90 2.10 2.10 assign ( resid 116 and name HG11 ) ( resid 117 and name HN ) 3.90 2.10 2.10 assign ( resid 8 and name HN ) ( resid 8 and name HG2 ) 2.89 1.09 1.09 assign ( resid 8 and name HN ) ( resid 8 and name HG1 ) 2.89 1.09 1.09 assign ( resid 13 and name HN ) ( resid 13 and name HG1 ) 2.76 0.97 0.97 assign ( resid 15 and name HN ) ( resid 15 and name HG2 ) 2.75 0.95 0.95 assign ( resid 15 and name HN ) ( resid 15 and name HG1 ) 2.75 0.95 0.95 assign ( resid 16 and name HN ) ( resid 16 and name HG2 ) 2.94 1.15 1.15 assign ( resid 18 and name HN ) ( resid 18 and name HG ) 3.34 1.54 1.54 assign ( resid 20 and name HN ) ( resid 20 and name HG* ) 3.55 1.75 1.75 assign ( resid 28 and name HN ) ( resid 28 and name HG2 ) 3.54 1.74 1.74 assign ( resid 28 and name HN ) ( resid 28 and name HG1 ) 3.54 1.74 1.74 assign ( resid 32 and name HN ) ( resid 32 and name HG2 ) 3.05 1.26 1.26 assign ( resid 35 and name HN ) ( resid 35 and name HG2 ) 3.05 1.26 1.26 assign ( resid 35 and name HN ) ( resid 35 and name HG1 ) 3.05 1.26 1.26 assign ( resid 36 and name HN ) ( resid 36 and name HG2 ) 3.05 1.26 1.26 assign ( resid 36 and name HN ) ( resid 36 and name HG1 ) 3.05 1.26 1.26 assign ( resid 38 and name HN ) ( resid 38 and name HG12 ) 2.89 1.09 1.09 assign ( resid 38 and name HN ) ( resid 38 and name HG11 ) 2.89 1.09 1.09 assign ( resid 40 and name HN ) ( resid 40 and name HG ) 2.73 0.93 0.93 assign ( resid 44 and name HN ) ( resid 44 and name HG2 ) 3.00 1.20 1.20 assign ( resid 47 and name HN ) ( resid 47 and name HG ) 2.62 0.82 0.82 assign ( resid 48 and name HN ) ( resid 48 and name HG2 ) 3.30 1.51 1.51 assign ( resid 48 and name HN ) ( resid 48 and name HG1 ) 3.30 1.51 1.51 assign ( resid 48 and name HN ) ( resid 48 and name HD* ) 4.28 2.49 2.49 assign ( resid 50 and name HN ) ( resid 50 and name HG11 ) 3.16 1.36 1.36 assign ( resid 55 and name HN ) ( resid 55 and name HG2 ) 3.27 1.47 1.47 assign ( resid 55 and name HN ) ( resid 55 and name HG1 ) 3.27 1.47 1.47 assign ( resid 55 and name HN ) ( resid 55 and name HD* ) 4.34 2.54 2.54 assign ( resid 57 and name HN ) ( resid 57 and name HD* ) 4.34 2.54 2.54 assign ( resid 59 and name HN ) ( resid 59 and name HG* ) 3.46 1.66 1.66 assign ( resid 60 and name HN ) ( resid 60 and name HD1 ) 3.03 1.24 1.24 assign ( resid 61 and name HN ) ( resid 61 and name HG2 ) 3.29 1.49 1.49 assign ( resid 61 and name HN ) ( resid 61 and name HG1 ) 3.29 1.49 1.49 assign ( resid 65 and name HN ) ( resid 65 and name HG ) 2.67 0.88 0.88 assign ( resid 67 and name HN ) ( resid 67 and name HG1 ) 3.34 1.54 1.54 assign ( resid 70 and name HN ) ( resid 70 and name HG1 ) 3.25 1.45 1.45 assign ( resid 70 and name HN ) ( resid 70 and name HD* ) 4.34 2.54 2.54 assign ( resid 71 and name HN ) ( resid 71 and name HG ) 2.53 0.73 0.73 assign ( resid 72 and name HN ) ( resid 72 and name HG ) 2.75 0.95 0.95 assign ( resid 73 and name HN ) ( resid 73 and name HG1 ) 3.29 1.49 1.49 assign ( resid 79 and name HN ) ( resid 79 and name HG1* ) 3.65 1.86 1.86 assign ( resid 81 and name HN ) ( resid 81 and name HG12 ) 2.98 1.18 1.18 assign ( resid 82 and name HN ) ( resid 82 and name HG ) 2.40 0.61 0.61 assign ( resid 84 and name HN ) ( resid 84 and name HG2 ) 3.50 1.71 1.71 assign ( resid 84 and name HN ) ( resid 84 and name HG1 ) 3.50 1.71 1.71 assign ( resid 96 and name HN ) ( resid 96 and name HG* ) 4.01 2.22 2.22 assign ( resid 99 and name HN ) ( resid 99 and name HG ) 2.75 0.95 0.95 assign ( resid 102 and name HN ) ( resid 102 and name HG1 ) 3.03 1.24 1.24 assign ( resid 103 and name HN ) ( resid 103 and name HG* ) 3.47 1.68 1.68 assign ( resid 105 and name HN ) ( resid 105 and name HG1 ) 3.21 1.42 1.42 assign ( resid 106 and name HN ) ( resid 106 and name HG2 ) 3.30 1.51 1.51 assign ( resid 106 and name HN ) ( resid 106 and name HG1 ) 3.30 1.51 1.51 assign ( resid 106 and name HN ) ( resid 106 and name HD* ) 4.27 2.47 2.47 assign ( resid 108 and name HN ) ( resid 108 and name HG* ) 3.49 1.70 1.70 assign ( resid 109 and name HN ) ( resid 109 and name HG2 ) 3.21 1.42 1.42 assign ( resid 109 and name HN ) ( resid 109 and name HG1 ) 3.21 1.42 1.42 assign ( resid 112 and name HN ) ( resid 112 and name HG2 ) 3.79 1.99 1.99 assign ( resid 113 and name HN ) ( resid 113 and name HG2 ) 2.89 1.09 1.09 assign ( resid 113 and name HN ) ( resid 113 and name HG1 ) 2.89 1.09 1.09 assign ( resid 114 and name HN ) ( resid 114 and name HG ) 2.89 1.09 1.09 assign ( resid 125 and name HN ) ( resid 125 and name HD2 ) 3.90 2.10 2.10 assign ( resid 53 and name HA ) ( resid 53 and name HD21 ) 3.57 1.78 1.78 assign ( resid 53 and name HA ) ( resid 53 and name HD22 ) 3.57 1.78 1.78 assign ( resid 64 and name HA ) ( resid 64 and name HD21 ) 3.27 1.47 1.47 assign ( resid 64 and name HA ) ( resid 64 and name HD22 ) 3.27 1.47 1.47 assign ( resid 75 and name HA ) ( resid 75 and name HD22 ) 3.50 1.71 1.71 assign ( resid 25 and name HB1 ) ( resid 25 and name HE21 ) 3.90 2.10 2.10 assign ( resid 25 and name HB2 ) ( resid 25 and name HE21 ) 3.90 2.10 2.10 assign ( resid 25 and name HB1 ) ( resid 25 and name HE22 ) 3.90 2.10 2.10 assign ( resid 25 and name HB2 ) ( resid 25 and name HE22 ) 3.90 2.10 2.10 assign ( resid 4 and name HB* ) ( resid 9 and name HN ) 4.34 2.54 2.54 assign ( resid 20 and name HG* ) ( resid 22 and name HN ) 4.34 2.54 2.54 assign ( resid 17 and name HB2 ) ( resid 26 and name HN ) 3.79 1.99 1.99 assign ( resid 17 and name HB1 ) ( resid 26 and name HN ) 3.18 1.38 1.38 assign ( resid 10 and name HB1 ) ( resid 33 and name HN ) 3.25 1.45 1.45 assign ( resid 10 and name HB2 ) ( resid 33 and name HN ) 3.52 1.72 1.72 assign ( resid 41 and name HA ) ( resid 45 and name HD21 ) 3.68 1.89 1.89 assign ( resid 41 and name HB1 ) ( resid 45 and name HD21 ) 4.78 2.98 2.98 assign ( resid 41 and name HB1 ) ( resid 45 and name HD22 ) 4.78 2.98 2.98 assign ( resid 48 and name HB1 ) ( resid 52 and name HD21 ) 4.38 2.59 2.59 assign ( resid 48 and name HD* ) ( resid 52 and name HD21 ) 4.34 2.54 2.54 assign ( resid 48 and name HB1 ) ( resid 52 and name HD22 ) 4.38 2.59 2.59 assign ( resid 48 and name HD* ) ( resid 52 and name HD22 ) 4.34 2.54 2.54 assign ( resid 49 and name HA ) ( resid 52 and name HD21 ) 3.65 1.85 1.85 assign ( resid 49 and name HA ) ( resid 52 and name HD22 ) 3.65 1.85 1.85 assign ( resid 50 and name HA ) ( resid 53 and name HD21 ) 3.50 1.71 1.71 assign ( resid 50 and name HA ) ( resid 53 and name HD22 ) 3.50 1.71 1.71 assign ( resid 55 and name HD* ) ( resid 56 and name HN ) 4.34 2.54 2.54 assign ( resid 64 and name HN ) ( resid 65 and name HG ) 3.68 1.89 1.89 assign ( resid 79 and name HN ) ( resid 80 and name HD2 ) 2.87 1.08 1.08 assign ( resid 79 and name HN ) ( resid 80 and name HD1 ) 2.87 1.08 1.08 assign ( resid 112 and name HN ) ( resid 112 and name HG1 ) 3.79 1.99 1.99 assign ( resid 9 and name HG2* ) ( resid 10 and name HN ) 3.44 1.64 1.64 assign ( resid 9 and name HG1* ) ( resid 10 and name HN ) 3.36 1.57 1.57 assign ( resid 18 and name HD1* ) ( resid 19 and name HN ) 4.41 2.61 2.61 assign ( resid 23 and name HD2* ) ( resid 24 and name HN ) 4.05 2.25 2.25 assign ( resid 24 and name HG1* ) ( resid 25 and name HN ) 3.31 1.51 1.51 assign ( resid 24 and name HG2* ) ( resid 25 and name HN ) 3.63 1.84 1.84 assign ( resid 38 and name HG2* ) ( resid 39 and name HN ) 3.74 1.95 1.95 assign ( resid 41 and name HD1* ) ( resid 42 and name HN ) 3.85 2.05 2.05 assign ( resid 42 and name HG1* ) ( resid 43 and name HN ) 3.56 1.77 1.77 assign ( resid 54 and name HG2* ) ( resid 55 and name HN ) 3.76 1.96 1.96 assign ( resid 71 and name HD1* ) ( resid 72 and name HN ) 3.69 1.89 1.89 assign ( resid 71 and name HD2* ) ( resid 72 and name HN ) 3.74 1.95 1.95 assign ( resid 82 and name HD1* ) ( resid 83 and name HN ) 3.94 2.14 2.14 assign ( resid 82 and name HD2* ) ( resid 83 and name HN ) 4.17 2.38 2.38 assign ( resid 88 and name HG2* ) ( resid 89 and name HN ) 3.63 1.84 1.84 assign ( resid 97 and name HD2* ) ( resid 98 and name HN ) 4.41 2.61 2.61 assign ( resid 99 and name HD2* ) ( resid 100 and name HN ) 3.47 1.68 1.68 assign ( resid 107 and name HD1* ) ( resid 108 and name HN ) 4.28 2.49 2.49 assign ( resid 111 and name HG2* ) ( resid 112 and name HN ) 3.63 1.84 1.84 assign ( resid 114 and name HD2* ) ( resid 115 and name HN ) 4.08 2.29 2.29 assign ( resid 114 and name HD1* ) ( resid 115 and name HN ) 4.24 2.45 2.45 assign ( resid 116 and name HG2* ) ( resid 117 and name HN ) 3.07 1.28 1.28 assign ( resid 119 and name HG2* ) ( resid 120 and name HN ) 3.51 1.71 1.71 assign ( resid 122 and name HD1* ) ( resid 123 and name HN ) 3.63 1.84 1.84 assign ( resid 122 and name HD2* ) ( resid 123 and name HN ) 3.97 2.18 2.18 assign ( resid 23 and name HN ) ( resid 23 and name HD1* ) 3.36 1.57 1.57 assign ( resid 23 and name HN ) ( resid 23 and name HD2* ) 3.42 1.62 1.62 assign ( resid 38 and name HN ) ( resid 38 and name HD1* ) 3.44 1.64 1.64 assign ( resid 40 and name HN ) ( resid 40 and name HD1* ) 3.35 1.55 1.55 assign ( resid 47 and name HN ) ( resid 47 and name HD1* ) 3.53 1.73 1.73 assign ( resid 65 and name HN ) ( resid 65 and name HD2* ) 3.76 1.96 1.96 assign ( resid 65 and name HN ) ( resid 65 and name HD1* ) 3.78 1.98 1.98 assign ( resid 79 and name HN ) ( resid 79 and name HD1* ) 3.36 1.57 1.57 assign ( resid 82 and name HN ) ( resid 82 and name HD1* ) 3.60 1.80 1.80 assign ( resid 99 and name HN ) ( resid 99 and name HD2* ) 3.74 1.95 1.95 assign ( resid 104 and name HN ) ( resid 104 and name HG1* ) 3.29 1.50 1.50 assign ( resid 104 and name HN ) ( resid 104 and name HG2* ) 3.25 1.46 1.46 assign ( resid 114 and name HN ) ( resid 114 and name HD2* ) 3.80 2.00 2.00 assign ( resid 114 and name HN ) ( resid 114 and name HD1* ) 3.67 1.87 1.87 assign ( resid 116 and name HN ) ( resid 116 and name HD1* ) 3.31 1.51 1.51 assign ( resid 119 and name HN ) ( resid 119 and name HG1* ) 3.20 1.41 1.41 assign ( resid 122 and name HN ) ( resid 122 and name HD1* ) 3.56 1.77 1.77 assign ( resid 122 and name HN ) ( resid 122 and name HD2* ) 3.51 1.71 1.71 assign ( resid 6 and name HN ) ( resid 7 and name HB* ) 4.37 2.58 2.58 assign ( resid 5 and name HG2* ) ( resid 8 and name HN ) 4.41 2.61 2.61 assign ( resid 8 and name HN ) ( resid 119 and name HG2* ) 4.26 2.47 2.47 assign ( resid 8 and name HN ) ( resid 119 and name HG1* ) 3.80 2.00 2.00 assign ( resid 8 and name HN ) ( resid 115 and name HG1* ) 3.90 2.11 2.11 assign ( resid 12 and name HN ) ( resid 33 and name HB* ) 4.19 2.40 2.40 assign ( resid 23 and name HN ) ( resid 26 and name HB* ) 4.41 2.61 2.61 assign ( resid 23 and name HN ) ( resid 24 and name HG2* ) 4.35 2.56 2.56 assign ( resid 34 and name HN ) ( resid 86 and name HB* ) 4.28 2.49 2.49 assign ( resid 34 and name HN ) ( resid 111 and name HG2* ) 4.08 2.29 2.29 assign ( resid 7 and name HB* ) ( resid 36 and name HN ) 3.96 2.16 2.16 assign ( resid 36 and name HN ) ( resid 37 and name HB* ) 4.41 2.61 2.61 assign ( resid 37 and name HN ) ( resid 118 and name HB* ) 3.72 1.93 1.93 assign ( resid 42 and name HG1* ) ( resid 47 and name HN ) 3.35 1.55 1.55 assign ( resid 47 and name HD2* ) ( resid 48 and name HN ) 3.67 1.87 1.87 assign ( resid 54 and name HG1* ) ( resid 56 and name HN ) 3.85 2.05 2.05 assign ( resid 43 and name HD1* ) ( resid 60 and name HE1 ) 4.26 2.47 2.47 assign ( resid 54 and name HG1* ) ( resid 60 and name HE1 ) 3.81 2.02 2.02 assign ( resid 50 and name HD1* ) ( resid 67 and name HN ) 4.35 2.56 2.56 assign ( resid 38 and name HG2* ) ( resid 69 and name HN ) 3.72 1.93 1.93 assign ( resid 50 and name HD1* ) ( resid 69 and name HN ) 4.32 2.52 2.52 assign ( resid 69 and name HN ) ( resid 72 and name HD2* ) 4.21 2.41 2.41 assign ( resid 75 and name HN ) ( resid 79 and name HD1* ) 4.30 2.50 2.50 assign ( resid 76 and name HN ) ( resid 79 and name HD1* ) 3.38 1.59 1.59 assign ( resid 78 and name HN ) ( resid 82 and name HD1* ) 4.19 2.40 2.40 assign ( resid 81 and name HG2* ) ( resid 84 and name HN ) 4.39 2.59 2.59 assign ( resid 34 and name HB* ) ( resid 86 and name HN ) 4.39 2.59 2.59 assign ( resid 89 and name HN ) ( resid 107 and name HD1* ) 3.89 2.09 2.09 assign ( resid 90 and name HN ) ( resid 91 and name HG2* ) 4.41 2.61 2.61 assign ( resid 103 and name HN ) ( resid 104 and name HG2* ) 4.12 2.32 2.32 assign ( resid 104 and name HN ) ( resid 107 and name HD2* ) 4.26 2.47 2.47 assign ( resid 104 and name HG1* ) ( resid 105 and name HN ) 3.20 1.41 1.41 assign ( resid 82 and name HD2* ) ( resid 110 and name HN ) 3.65 1.86 1.86 assign ( resid 82 and name HD2* ) ( resid 113 and name HN ) 3.78 1.98 1.98 assign ( resid 37 and name HB* ) ( resid 114 and name HN ) 4.41 2.61 2.61 assign ( resid 114 and name HN ) ( resid 115 and name HG2* ) 3.54 1.75 1.75 assign ( resid 111 and name HG1* ) ( resid 115 and name HN ) 4.32 2.52 2.52 assign ( resid 37 and name HB* ) ( resid 115 and name HN ) 4.24 2.45 2.45 assign ( resid 41 and name HD1* ) ( resid 118 and name HN ) 3.29 1.50 1.50 assign ( resid 118 and name HB* ) ( resid 121 and name HN ) 4.41 2.61 2.61 assign ( resid 121 and name HN ) ( resid 122 and name HD1* ) 3.62 1.82 1.82 assign ( resid 14 and name HB* ) ( resid 29 and name HN ) 3.79 2.00 2.00 assign ( resid 39 and name HN ) ( resid 40 and name HD1* ) 3.80 2.00 2.00 assign ( resid 37 and name HB* ) ( resid 118 and name HN ) 3.83 2.04 2.04 assign ( resid 6 and name HN ) ( resid 6 and name HB2 ) 2.84 1.04 1.04 assign ( resid 6 and name HN ) ( resid 6 and name HB1 ) 2.84 1.04 1.04 assign ( resid 9 and name HN ) ( resid 9 and name HB ) 2.44 0.64 0.64 assign ( resid 12 and name HN ) ( resid 12 and name HB2 ) 2.48 0.68 0.68 assign ( resid 12 and name HN ) ( resid 12 and name HB1 ) 2.48 0.68 0.68 assign ( resid 15 and name HN ) ( resid 15 and name HB1 ) 2.87 1.08 1.08 assign ( resid 16 and name HA ) ( resid 16 and name HB2 ) 2.33 0.54 0.54 assign ( resid 16 and name HA ) ( resid 16 and name HB1 ) 2.33 0.54 0.54 assign ( resid 16 and name HN ) ( resid 16 and name HB2 ) 2.55 0.75 0.75 assign ( resid 16 and name HN ) ( resid 16 and name HB1 ) 2.55 0.75 0.75 assign ( resid 20 and name HN ) ( resid 20 and name HB2 ) 2.64 0.84 0.84 assign ( resid 22 and name HN ) ( resid 22 and name HB1 ) 2.60 0.81 0.81 assign ( resid 23 and name HN ) ( resid 23 and name HB1 ) 2.73 0.93 0.93 assign ( resid 24 and name HN ) ( resid 24 and name HB ) 2.31 0.52 0.52 assign ( resid 27 and name HN ) ( resid 27 and name HB1 ) 2.80 1.00 1.00 assign ( resid 32 and name HN ) ( resid 32 and name HB1 ) 2.76 0.97 0.97 assign ( resid 35 and name HN ) ( resid 35 and name HB1 ) 2.87 1.08 1.08 assign ( resid 38 and name HN ) ( resid 38 and name HB ) 2.49 0.70 0.70 assign ( resid 40 and name HN ) ( resid 40 and name HB1 ) 2.62 0.82 0.82 assign ( resid 41 and name HN ) ( resid 41 and name HB1 ) 2.93 1.13 1.13 assign ( resid 42 and name HN ) ( resid 42 and name HB ) 2.51 0.72 0.72 assign ( resid 43 and name HN ) ( resid 43 and name HB ) 2.40 0.61 0.61 assign ( resid 44 and name HN ) ( resid 44 and name HB2 ) 2.82 1.02 1.02 assign ( resid 45 and name HN ) ( resid 45 and name HB2 ) 2.67 0.88 0.88 assign ( resid 46 and name HN ) ( resid 46 and name HA ) 2.21 0.41 0.41 assign ( resid 46 and name HN ) ( resid 46 and name HB2 ) 2.71 0.91 0.91 assign ( resid 46 and name HA ) ( resid 46 and name HB2 ) 2.40 0.61 0.61 assign ( resid 46 and name HN ) ( resid 46 and name HB1 ) 2.71 0.91 0.91 assign ( resid 46 and name HA ) ( resid 46 and name HB1 ) 2.40 0.61 0.61 assign ( resid 48 and name HN ) ( resid 48 and name HB2 ) 2.53 0.73 0.73 assign ( resid 48 and name HN ) ( resid 48 and name HB1 ) 2.53 0.73 0.73 assign ( resid 49 and name HA ) ( resid 49 and name HB2 ) 2.37 0.57 0.57 assign ( resid 49 and name HA ) ( resid 49 and name HB1 ) 2.37 0.57 0.57 assign ( resid 49 and name HN ) ( resid 49 and name HB2 ) 2.64 0.84 0.84 assign ( resid 49 and name HN ) ( resid 49 and name HB1 ) 2.64 0.84 0.84 assign ( resid 50 and name HN ) ( resid 50 and name HB ) 2.49 0.70 0.70 assign ( resid 51 and name HN ) ( resid 51 and name HB ) 2.78 0.99 0.99 assign ( resid 51 and name HA ) ( resid 51 and name HB ) 2.35 0.55 0.55 assign ( resid 53 and name HN ) ( resid 53 and name HB2 ) 2.58 0.79 0.79 assign ( resid 53 and name HN ) ( resid 53 and name HB1 ) 2.58 0.79 0.79 assign ( resid 54 and name HN ) ( resid 54 and name HB ) 2.49 0.70 0.70 assign ( resid 55 and name HN ) ( resid 55 and name HB2 ) 2.53 0.73 0.73 assign ( resid 56 and name HN ) ( resid 56 and name HB2 ) 2.53 0.73 0.73 assign ( resid 56 and name HN ) ( resid 56 and name HB1 ) 2.53 0.73 0.73 assign ( resid 57 and name HN ) ( resid 57 and name HA ) 2.35 0.55 0.55 assign ( resid 57 and name HN ) ( resid 57 and name HB2 ) 2.51 0.72 0.72 assign ( resid 59 and name HN ) ( resid 59 and name HB1 ) 2.64 0.84 0.84 assign ( resid 61 and name HN ) ( resid 61 and name HB2 ) 2.94 1.15 1.15 assign ( resid 61 and name HN ) ( resid 61 and name HB1 ) 2.94 1.15 1.15 assign ( resid 62 and name HA ) ( resid 62 and name HB1 ) 2.37 0.57 0.57 assign ( resid 62 and name HN ) ( resid 62 and name HB2 ) 2.85 1.06 1.06 assign ( resid 62 and name HA ) ( resid 62 and name HB2 ) 2.37 0.57 0.57 assign ( resid 62 and name HN ) ( resid 62 and name HB1 ) 2.85 1.06 1.06 assign ( resid 63 and name HN ) ( resid 63 and name HB2 ) 2.66 0.86 0.86 assign ( resid 63 and name HN ) ( resid 63 and name HB1 ) 2.66 0.86 0.86 assign ( resid 64 and name HN ) ( resid 64 and name HB2 ) 2.58 0.79 0.79 assign ( resid 64 and name HN ) ( resid 64 and name HB1 ) 2.58 0.79 0.79 assign ( resid 66 and name HN ) ( resid 66 and name HB2 ) 2.84 1.04 1.04 assign ( resid 67 and name HN ) ( resid 67 and name HB1 ) 2.53 0.73 0.73 assign ( resid 70 and name HN ) ( resid 70 and name HB1 ) 2.60 0.81 0.81 assign ( resid 70 and name HN ) ( resid 70 and name HB2 ) 2.53 0.73 0.73 assign ( resid 71 and name HN ) ( resid 71 and name HB2 ) 2.84 1.04 1.04 assign ( resid 71 and name HN ) ( resid 71 and name HB1 ) 2.84 1.04 1.04 assign ( resid 73 and name HN ) ( resid 73 and name HB1 ) 2.53 0.73 0.73 assign ( resid 73 and name HN ) ( resid 73 and name HB2 ) 2.53 0.73 0.73 assign ( resid 75 and name HN ) ( resid 75 and name HB2 ) 2.57 0.77 0.77 assign ( resid 75 and name HN ) ( resid 75 and name HB1 ) 2.57 0.77 0.77 assign ( resid 77 and name HN ) ( resid 77 and name HB ) 2.64 0.84 0.84 assign ( resid 77 and name HA ) ( resid 77 and name HB ) 2.37 0.57 0.57 assign ( resid 78 and name HA ) ( resid 78 and name HB2 ) 2.39 0.59 0.59 assign ( resid 78 and name HA ) ( resid 78 and name HB1 ) 2.35 0.55 0.55 assign ( resid 78 and name HN ) ( resid 78 and name HB2 ) 2.40 0.61 0.61 assign ( resid 78 and name HN ) ( resid 78 and name HB1 ) 2.62 0.82 0.82 assign ( resid 81 and name HN ) ( resid 81 and name HB ) 2.37 0.57 0.57 assign ( resid 84 and name HN ) ( resid 84 and name HB2 ) 2.44 0.64 0.64 assign ( resid 84 and name HN ) ( resid 84 and name HB1 ) 2.44 0.64 0.64 assign ( resid 87 and name HA ) ( resid 90 and name HN ) 2.89 1.09 1.09 assign ( resid 91 and name HN ) ( resid 91 and name HB ) 2.55 0.75 0.75 assign ( resid 94 and name HN ) ( resid 94 and name HB2 ) 2.75 0.95 0.95 assign ( resid 94 and name HN ) ( resid 94 and name HB1 ) 2.75 0.95 0.95 assign ( resid 97 and name HN ) ( resid 97 and name HB2 ) 2.80 1.00 1.00 assign ( resid 97 and name HN ) ( resid 97 and name HB1 ) 2.80 1.00 1.00 assign ( resid 99 and name HN ) ( resid 99 and name HB1 ) 2.94 1.15 1.15 assign ( resid 101 and name HN ) ( resid 101 and name HB2 ) 2.64 0.84 0.84 assign ( resid 101 and name HN ) ( resid 101 and name HB1 ) 2.64 0.84 0.84 assign ( resid 102 and name HN ) ( resid 102 and name HB2 ) 2.40 0.61 0.61 assign ( resid 102 and name HA ) ( resid 102 and name HB2 ) 2.40 0.61 0.61 assign ( resid 103 and name HN ) ( resid 103 and name HB2 ) 2.60 0.81 0.81 assign ( resid 103 and name HN ) ( resid 103 and name HB1 ) 2.60 0.81 0.81 assign ( resid 107 and name HN ) ( resid 107 and name HB2 ) 2.84 1.04 1.04 assign ( resid 111 and name HN ) ( resid 111 and name HB ) 2.64 0.84 0.84 assign ( resid 113 and name HN ) ( resid 113 and name HB2 ) 2.71 0.91 0.91 assign ( resid 114 and name HA ) ( resid 114 and name HB1 ) 2.39 0.59 0.59 assign ( resid 114 and name HN ) ( resid 114 and name HB2 ) 2.51 0.72 0.72 assign ( resid 114 and name HN ) ( resid 114 and name HB1 ) 2.53 0.73 0.73 assign ( resid 115 and name HN ) ( resid 115 and name HB ) 2.31 0.52 0.52 assign ( resid 116 and name HN ) ( resid 116 and name HB ) 2.39 0.59 0.59 assign ( resid 117 and name HN ) ( resid 117 and name HB2 ) 2.48 0.68 0.68 assign ( resid 117 and name HN ) ( resid 117 and name HB1 ) 2.51 0.72 0.72 assign ( resid 120 and name HN ) ( resid 120 and name HB2 ) 2.48 0.68 0.68 assign ( resid 120 and name HN ) ( resid 120 and name HB1 ) 2.48 0.68 0.68 assign ( resid 121 and name HN ) ( resid 121 and name HB1 ) 2.62 0.82 0.82 assign ( resid 124 and name HA ) ( resid 124 and name HB2 ) 2.40 0.61 0.61 assign ( resid 124 and name HA ) ( resid 124 and name HB1 ) 2.40 0.61 0.61 assign ( resid 124 and name HN ) ( resid 124 and name HB2 ) 2.73 0.93 0.93 assign ( resid 3 and name HA ) ( resid 4 and name HN ) 2.12 0.32 0.32 assign ( resid 3 and name HB ) ( resid 4 and name HN ) 2.51 0.72 0.72 assign ( resid 4 and name HA ) ( resid 5 and name HN ) 2.26 0.46 0.46 assign ( resid 5 and name HA ) ( resid 6 and name HN ) 2.30 0.50 0.50 assign ( resid 5 and name HB ) ( resid 6 and name HN ) 2.57 0.77 0.77 assign ( resid 16 and name HB2 ) ( resid 17 and name HN ) 2.71 0.91 0.91 assign ( resid 16 and name HB1 ) ( resid 17 and name HN ) 2.71 0.91 0.91 assign ( resid 18 and name HA ) ( resid 19 and name HN ) 2.66 0.86 0.86 assign ( resid 22 and name HA ) ( resid 23 and name HN ) 2.30 0.50 0.50 assign ( resid 23 and name HB1 ) ( resid 24 and name HN ) 2.96 1.17 1.17 assign ( resid 24 and name HB ) ( resid 25 and name HN ) 2.49 0.70 0.70 assign ( resid 32 and name HB1 ) ( resid 33 and name HN ) 2.96 1.17 1.17 assign ( resid 35 and name HB2 ) ( resid 36 and name HN ) 2.85 1.06 1.06 assign ( resid 38 and name HB ) ( resid 39 and name HN ) 2.85 1.06 1.06 assign ( resid 40 and name HB2 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and name HA1 ) ( resid 59 and name HN ) 2.60 0.81 0.81 assign ( resid 59 and name HA ) ( resid 60 and name HN ) 2.31 0.52 0.52 assign ( resid 59 and name HB2 ) ( resid 60 and name HN ) 2.98 1.18 1.18 assign ( resid 59 and name HB1 ) ( resid 60 and name HN ) 2.98 1.18 1.18 assign ( resid 60 and name HA ) ( resid 61 and name HN ) 2.40 0.61 0.61 assign ( resid 63 and name HB2 ) ( resid 64 and name HN ) 3.02 1.22 1.22 assign ( resid 63 and name HB1 ) ( resid 64 and name HN ) 3.02 1.22 1.22 assign ( resid 67 and name HB1 ) ( resid 68 and name HN ) 2.42 0.63 0.63 assign ( resid 67 and name HB2 ) ( resid 68 and name HN ) 2.53 0.73 0.73 assign ( resid 70 and name HA ) ( resid 71 and name HN ) 2.67 0.88 0.88 assign ( resid 70 and name HB1 ) ( resid 71 and name HN ) 2.60 0.81 0.81 assign ( resid 70 and name HB2 ) ( resid 71 and name HN ) 2.58 0.79 0.79 assign ( resid 73 and name HB1 ) ( resid 74 and name HN ) 2.93 1.13 1.13 assign ( resid 75 and name HB2 ) ( resid 76 and name HN ) 2.75 0.95 0.95 assign ( resid 75 and name HB1 ) ( resid 76 and name HN ) 2.75 0.95 0.95 assign ( resid 76 and name HA ) ( resid 77 and name HN ) 2.30 0.50 0.50 assign ( resid 77 and name HB ) ( resid 78 and name HN ) 3.09 1.29 1.29 assign ( resid 80 and name HB1 ) ( resid 81 and name HN ) 2.98 1.18 1.18 assign ( resid 80 and name HB2 ) ( resid 81 and name HN ) 2.73 0.93 0.93 assign ( resid 81 and name HB ) ( resid 82 and name HN ) 2.58 0.79 0.79 assign ( resid 84 and name HB2 ) ( resid 85 and name HN ) 2.76 0.97 0.97 assign ( resid 84 and name HB1 ) ( resid 85 and name HN ) 2.76 0.97 0.97 assign ( resid 91 and name HB ) ( resid 92 and name HN ) 2.69 0.90 0.90 assign ( resid 94 and name HB2 ) ( resid 95 and name HN ) 3.07 1.27 1.27 assign ( resid 94 and name HB1 ) ( resid 95 and name HN ) 3.07 1.27 1.27 assign ( resid 97 and name HA ) ( resid 98 and name HN ) 2.46 0.66 0.66 assign ( resid 99 and name HA ) ( resid 100 and name HN ) 2.30 0.50 0.50 assign ( resid 100 and name HB2 ) ( resid 101 and name HN ) 2.71 0.91 0.91 assign ( resid 100 and name HB1 ) ( resid 101 and name HN ) 2.71 0.91 0.91 assign ( resid 101 and name HB2 ) ( resid 102 and name HN ) 2.76 0.97 0.97 assign ( resid 101 and name HB1 ) ( resid 102 and name HN ) 2.76 0.97 0.97 assign ( resid 102 and name HB2 ) ( resid 103 and name HN ) 2.71 0.91 0.91 assign ( resid 102 and name HB1 ) ( resid 103 and name HN ) 2.66 0.86 0.86 assign ( resid 103 and name HB2 ) ( resid 104 and name HN ) 2.89 1.09 1.09 assign ( resid 103 and name HB1 ) ( resid 104 and name HN ) 2.89 1.09 1.09 assign ( resid 114 and name HB2 ) ( resid 115 and name HN ) 2.78 0.99 0.99 assign ( resid 117 and name HB2 ) ( resid 118 and name HN ) 2.75 0.95 0.95 assign ( resid 117 and name HB1 ) ( resid 118 and name HN ) 2.62 0.82 0.82 assign ( resid 122 and name HA ) ( resid 123 and name HN ) 2.60 0.81 0.81 assign ( resid 6 and name HA ) ( resid 9 and name HB ) 2.57 0.77 0.77 assign ( resid 7 and name HA ) ( resid 10 and name HB1 ) 3.36 1.56 1.56 assign ( resid 8 and name HA ) ( resid 11 and name HN ) 2.75 0.95 0.95 assign ( resid 8 and name HA ) ( resid 11 and name HB2 ) 2.89 1.09 1.09 assign ( resid 8 and name HA ) ( resid 11 and name HB1 ) 2.69 0.90 0.90 assign ( resid 9 and name HA ) ( resid 12 and name HN ) 2.87 1.08 1.08 assign ( resid 9 and name HA ) ( resid 12 and name HB2 ) 2.80 1.00 1.00 assign ( resid 9 and name HA ) ( resid 12 and name HB1 ) 2.80 1.00 1.00 assign ( resid 11 and name HA ) ( resid 14 and name HN ) 3.14 1.35 1.35 assign ( resid 12 and name HA ) ( resid 15 and name HN ) 2.78 0.99 0.99 assign ( resid 12 and name HA ) ( resid 15 and name HB2 ) 2.58 0.79 0.79 assign ( resid 12 and name HA ) ( resid 15 and name HB1 ) 2.93 1.13 1.13 assign ( resid 13 and name HA ) ( resid 16 and name HB2 ) 2.67 0.88 0.88 assign ( resid 13 and name HA ) ( resid 16 and name HB1 ) 2.67 0.88 0.88 assign ( resid 14 and name HA ) ( resid 17 and name HB2 ) 3.21 1.42 1.42 assign ( resid 15 and name HA ) ( resid 18 and name HN ) 2.91 1.11 1.11 assign ( resid 15 and name HA ) ( resid 18 and name HB2 ) 2.80 1.00 1.00 assign ( resid 15 and name HA ) ( resid 18 and name HB1 ) 2.80 1.00 1.00 assign ( resid 17 and name HA ) ( resid 19 and name HN ) 2.91 1.11 1.11 assign ( resid 27 and name HA ) ( resid 30 and name HN ) 2.93 1.13 1.13 assign ( resid 27 and name HA ) ( resid 30 and name HB* ) 3.49 1.70 1.70 assign ( resid 30 and name HA ) ( resid 33 and name HN ) 2.94 1.15 1.15 assign ( resid 31 and name HA ) ( resid 34 and name HN ) 3.02 1.22 1.22 assign ( resid 37 and name HA ) ( resid 40 and name HN ) 2.91 1.11 1.11 assign ( resid 37 and name HA ) ( resid 40 and name HB2 ) 2.66 0.86 0.86 assign ( resid 37 and name HA ) ( resid 40 and name HB1 ) 2.85 1.06 1.06 assign ( resid 39 and name HA ) ( resid 42 and name HB ) 2.82 1.02 1.02 assign ( resid 40 and name HA ) ( resid 43 and name HB ) 2.67 0.88 0.88 assign ( resid 64 and name HA ) ( resid 67 and name HB1 ) 2.80 1.00 1.00 assign ( resid 64 and name HA ) ( resid 67 and name HB2 ) 2.93 1.13 1.13 assign ( resid 67 and name HA ) ( resid 70 and name HB1 ) 2.91 1.11 1.11 assign ( resid 67 and name HA ) ( resid 70 and name HB2 ) 2.78 0.99 0.99 assign ( resid 77 and name HA ) ( resid 79 and name HN ) 3.52 1.72 1.72 assign ( resid 78 and name HA ) ( resid 81 and name HN ) 2.85 1.06 1.06 assign ( resid 78 and name HA ) ( resid 81 and name HB ) 2.67 0.88 0.88 assign ( resid 80 and name HA ) ( resid 83 and name HB* ) 3.22 1.43 1.43 assign ( resid 81 and name HA ) ( resid 84 and name HB1 ) 2.58 0.79 0.79 assign ( resid 85 and name HA ) ( resid 88 and name HB ) 2.58 0.79 0.79 assign ( resid 86 and name HA ) ( resid 89 and name HB2 ) 3.25 1.45 1.45 assign ( resid 88 and name HA ) ( resid 91 and name HN ) 3.03 1.24 1.24 assign ( resid 88 and name HA ) ( resid 91 and name HB ) 2.94 1.15 1.15 assign ( resid 88 and name HA ) ( resid 92 and name HN ) 3.11 1.31 1.31 assign ( resid 101 and name HA ) ( resid 104 and name HB ) 2.51 0.72 0.72 assign ( resid 102 and name HA ) ( resid 105 and name HB* ) 3.29 1.50 1.50 assign ( resid 103 and name HA ) ( resid 106 and name HN ) 2.76 0.97 0.97 assign ( resid 103 and name HA ) ( resid 106 and name HB* ) 3.11 1.32 1.32 assign ( resid 105 and name HA ) ( resid 108 and name HN ) 2.89 1.09 1.09 assign ( resid 106 and name HA ) ( resid 109 and name HB* ) 3.04 1.25 1.25 assign ( resid 107 and name HA ) ( resid 110 and name HB2 ) 2.73 0.93 0.93 assign ( resid 107 and name HA ) ( resid 110 and name HB1 ) 2.87 1.08 1.08 assign ( resid 108 and name HA ) ( resid 111 and name HB ) 2.96 1.17 1.17 assign ( resid 109 and name HA ) ( resid 111 and name HN ) 3.39 1.60 1.60 assign ( resid 109 and name HA ) ( resid 112 and name HN ) 2.69 0.90 0.90 assign ( resid 109 and name HA ) ( resid 112 and name HB2 ) 2.62 0.82 0.82 assign ( resid 109 and name HA ) ( resid 112 and name HB1 ) 2.62 0.82 0.82 assign ( resid 110 and name HA ) ( resid 113 and name HN ) 2.71 0.91 0.91 assign ( resid 110 and name HA ) ( resid 113 and name HB2 ) 2.67 0.88 0.88 assign ( resid 110 and name HA ) ( resid 113 and name HB1 ) 3.18 1.38 1.38 assign ( resid 111 and name HA ) ( resid 114 and name HN ) 2.80 1.00 1.00 assign ( resid 111 and name HA ) ( resid 114 and name HB2 ) 2.66 0.86 0.86 assign ( resid 111 and name HA ) ( resid 114 and name HB1 ) 2.91 1.11 1.11 assign ( resid 112 and name HA ) ( resid 115 and name HB ) 2.98 1.18 1.18 assign ( resid 114 and name HA ) ( resid 117 and name HN ) 2.71 0.91 0.91 assign ( resid 114 and name HA ) ( resid 117 and name HB2 ) 2.87 1.08 1.08 assign ( resid 114 and name HA ) ( resid 117 and name HB1 ) 2.85 1.06 1.06 assign ( resid 115 and name HA ) ( resid 117 and name HN ) 2.87 1.08 1.08 assign ( resid 116 and name HA ) ( resid 119 and name HB ) 2.46 0.66 0.66 assign ( resid 117 and name HA ) ( resid 120 and name HB2 ) 2.98 1.18 1.18 assign ( resid 117 and name HA ) ( resid 120 and name HB1 ) 2.98 1.18 1.18 assign ( resid 118 and name HA ) ( resid 121 and name HB2 ) 2.80 1.00 1.00 assign ( resid 118 and name HA ) ( resid 121 and name HB1 ) 2.80 1.00 1.00 assign ( resid 119 and name HA ) ( resid 122 and name HB* ) 3.15 1.36 1.36 assign ( resid 5 and name HB ) ( resid 7 and name HN ) 2.58 0.79 0.79 assign ( resid 17 and name HA ) ( resid 20 and name HN ) 2.96 1.17 1.17 assign ( resid 17 and name HA ) ( resid 20 and name HB1 ) 2.93 1.13 1.13 assign ( resid 17 and name HA ) ( resid 20 and name HB2 ) 2.93 1.13 1.13 assign ( resid 14 and name HA ) ( resid 26 and name HA ) 2.49 0.70 0.70 assign ( resid 49 and name HA ) ( resid 52 and name HB* ) 3.51 1.72 1.72 assign ( resid 50 and name HA ) ( resid 53 and name HB2 ) 3.14 1.35 1.35 assign ( resid 50 and name HA ) ( resid 53 and name HB1 ) 3.14 1.35 1.35 assign ( resid 51 and name HA ) ( resid 54 and name HB ) 2.85 1.06 1.06 assign ( resid 48 and name HB1 ) ( resid 49 and name HN ) 2.91 1.11 1.11 assign ( resid 101 and name HA ) ( resid 104 and name HN ) 2.62 0.82 0.82 assign ( resid 109 and name HB* ) ( resid 110 and name HA ) 3.53 1.73 1.73 assign ( resid 73 and name HB2 ) ( resid 77 and name HA ) 2.89 1.09 1.09 assign ( resid 48 and name HA ) ( resid 51 and name HN ) 2.71 0.91 0.91 assign ( resid 120 and name HA ) ( resid 123 and name HB* ) 3.33 1.53 1.53 assign ( resid 54 and name HA ) ( resid 56 and name HN ) 2.62 0.82 0.82 assign ( resid 81 and name HA ) ( resid 84 and name HB2 ) 2.58 0.79 0.79 assign ( resid 71 and name HB1 ) ( resid 72 and name HN ) 2.96 1.17 1.17 assign ( resid 3 and name HA ) ( resid 3 and name HG11 ) 2.89 1.09 1.09 assign ( resid 3 and name HA ) ( resid 3 and name HG12 ) 2.89 1.09 1.09 assign ( resid 8 and name HA ) ( resid 8 and name HG2 ) 2.91 1.11 1.11 assign ( resid 8 and name HA ) ( resid 8 and name HG1 ) 2.91 1.11 1.11 assign ( resid 12 and name HN ) ( resid 12 and name HG* ) 3.40 1.61 1.61 assign ( resid 13 and name HA ) ( resid 13 and name HG2 ) 2.84 1.04 1.04 assign ( resid 13 and name HN ) ( resid 13 and name HG2 ) 2.76 0.97 0.97 assign ( resid 13 and name HA ) ( resid 13 and name HG1 ) 2.84 1.04 1.04 assign ( resid 15 and name HA ) ( resid 15 and name HG2 ) 3.02 1.22 1.22 assign ( resid 15 and name HA ) ( resid 15 and name HG1 ) 3.02 1.22 1.22 assign ( resid 16 and name HN ) ( resid 16 and name HG1 ) 2.94 1.15 1.15 assign ( resid 20 and name HN ) ( resid 20 and name HD* ) 4.00 2.20 2.20 assign ( resid 20 and name HA ) ( resid 20 and name HD* ) 4.18 2.38 2.38 assign ( resid 23 and name HN ) ( resid 23 and name HG ) 2.39 0.59 0.59 assign ( resid 25 and name HN ) ( resid 25 and name HG2 ) 2.64 0.84 0.84 assign ( resid 25 and name HA ) ( resid 25 and name HG2 ) 2.58 0.79 0.79 assign ( resid 25 and name HN ) ( resid 25 and name HG1 ) 2.64 0.84 0.84 assign ( resid 25 and name HA ) ( resid 25 and name HG1 ) 2.58 0.79 0.79 assign ( resid 32 and name HN ) ( resid 32 and name HG1 ) 3.05 1.26 1.26 assign ( resid 32 and name HA ) ( resid 32 and name HD2 ) 3.25 1.45 1.45 assign ( resid 32 and name HA ) ( resid 32 and name HD1 ) 3.25 1.45 1.45 assign ( resid 35 and name HA ) ( resid 35 and name HG2 ) 2.85 1.06 1.06 assign ( resid 35 and name HA ) ( resid 35 and name HG1 ) 2.85 1.06 1.06 assign ( resid 38 and name HA ) ( resid 38 and name HG12 ) 2.98 1.18 1.18 assign ( resid 38 and name HA ) ( resid 38 and name HG11 ) 2.98 1.18 1.18 assign ( resid 40 and name HB1 ) ( resid 40 and name HG ) 2.35 0.55 0.55 assign ( resid 40 and name HA ) ( resid 40 and name HG ) 3.02 1.22 1.22 assign ( resid 40 and name HB2 ) ( resid 40 and name HG ) 2.35 0.55 0.55 assign ( resid 41 and name HN ) ( resid 41 and name HG ) 2.96 1.17 1.17 assign ( resid 43 and name HA ) ( resid 43 and name HG12 ) 2.53 0.73 0.73 assign ( resid 43 and name HA ) ( resid 43 and name HG11 ) 2.89 1.09 1.09 assign ( resid 43 and name HN ) ( resid 43 and name HG12 ) 2.82 1.02 1.02 assign ( resid 43 and name HN ) ( resid 43 and name HG11 ) 2.58 0.79 0.79 assign ( resid 44 and name HA ) ( resid 44 and name HG1 ) 2.82 1.02 1.02 assign ( resid 44 and name HN ) ( resid 44 and name HG1 ) 3.00 1.20 1.20 assign ( resid 47 and name HB1 ) ( resid 47 and name HG ) 2.40 0.61 0.61 assign ( resid 48 and name HA ) ( resid 48 and name HG2 ) 2.78 0.99 0.99 assign ( resid 48 and name HA ) ( resid 48 and name HG1 ) 2.78 0.99 0.99 assign ( resid 48 and name HA ) ( resid 48 and name HD* ) 3.56 1.77 1.77 assign ( resid 49 and name HN ) ( resid 49 and name HG2 ) 3.18 1.38 1.38 assign ( resid 49 and name HA ) ( resid 49 and name HG2 ) 2.80 1.00 1.00 assign ( resid 49 and name HN ) ( resid 49 and name HG1 ) 3.18 1.38 1.38 assign ( resid 49 and name HA ) ( resid 49 and name HG1 ) 2.80 1.00 1.00 assign ( resid 50 and name HN ) ( resid 50 and name HG12 ) 3.16 1.36 1.36 assign ( resid 55 and name HA ) ( resid 55 and name HG2 ) 2.73 0.93 0.93 assign ( resid 55 and name HA ) ( resid 55 and name HG1 ) 2.73 0.93 0.93 assign ( resid 57 and name HA ) ( resid 57 and name HG1 ) 2.80 1.00 1.00 assign ( resid 57 and name HN ) ( resid 57 and name HG2 ) 2.91 1.11 1.11 assign ( resid 57 and name HA ) ( resid 57 and name HG2 ) 2.80 1.00 1.00 assign ( resid 57 and name HN ) ( resid 57 and name HG1 ) 2.91 1.11 1.11 assign ( resid 57 and name HA ) ( resid 57 and name HD* ) 3.38 1.59 1.59 assign ( resid 59 and name HA ) ( resid 59 and name HD* ) 3.83 2.04 2.04 assign ( resid 59 and name HN ) ( resid 59 and name HD* ) 4.28 2.49 2.49 assign ( resid 63 and name HN ) ( resid 63 and name HG* ) 3.40 1.61 1.61 assign ( resid 65 and name HA ) ( resid 65 and name HG ) 2.93 1.13 1.13 assign ( resid 67 and name HN ) ( resid 67 and name HG2 ) 3.34 1.54 1.54 assign ( resid 67 and name HA ) ( resid 67 and name HG2 ) 2.76 0.97 0.97 assign ( resid 67 and name HA ) ( resid 67 and name HG1 ) 2.76 0.97 0.97 assign ( resid 70 and name HN ) ( resid 70 and name HG2 ) 3.25 1.45 1.45 assign ( resid 70 and name HA ) ( resid 70 and name HG2 ) 2.85 1.06 1.06 assign ( resid 70 and name HA ) ( resid 70 and name HG1 ) 2.85 1.06 1.06 assign ( resid 70 and name HA ) ( resid 70 and name HD* ) 3.46 1.66 1.66 assign ( resid 71 and name HA ) ( resid 71 and name HG ) 2.71 0.91 0.91 assign ( resid 72 and name HA ) ( resid 72 and name HG ) 2.75 0.95 0.95 assign ( resid 73 and name HA ) ( resid 73 and name HG2 ) 2.75 0.95 0.95 assign ( resid 73 and name HA ) ( resid 73 and name HG1 ) 2.75 0.95 0.95 assign ( resid 73 and name HN ) ( resid 73 and name HG2 ) 3.29 1.49 1.49 assign ( resid 73 and name HN ) ( resid 73 and name HD* ) 3.62 1.82 1.82 assign ( resid 75 and name HA ) ( resid 75 and name HD21 ) 3.50 1.71 1.71 assign ( resid 78 and name HN ) ( resid 78 and name HG2 ) 2.69 0.90 0.90 assign ( resid 78 and name HA ) ( resid 78 and name HG2 ) 2.53 0.73 0.73 assign ( resid 78 and name HN ) ( resid 78 and name HG1 ) 2.69 0.90 0.90 assign ( resid 78 and name HA ) ( resid 78 and name HG1 ) 2.53 0.73 0.73 assign ( resid 81 and name HA ) ( resid 81 and name HG12 ) 2.87 1.08 1.08 assign ( resid 81 and name HN ) ( resid 81 and name HG11 ) 2.98 1.18 1.18 assign ( resid 81 and name HA ) ( resid 81 and name HG11 ) 2.87 1.08 1.08 assign ( resid 82 and name HA ) ( resid 82 and name HG ) 2.85 1.06 1.06 assign ( resid 84 and name HA ) ( resid 84 and name HG2 ) 2.93 1.13 1.13 assign ( resid 84 and name HA ) ( resid 84 and name HG1 ) 2.93 1.13 1.13 assign ( resid 89 and name HN ) ( resid 89 and name HG ) 3.07 1.27 1.27 assign ( resid 97 and name HA ) ( resid 97 and name HG ) 2.75 0.95 0.95 assign ( resid 97 and name HN ) ( resid 97 and name HG ) 3.00 1.20 1.20 assign ( resid 97 and name HB2 ) ( resid 97 and name HG ) 2.37 0.57 0.57 assign ( resid 97 and name HB1 ) ( resid 97 and name HG ) 2.37 0.57 0.57 assign ( resid 101 and name HN ) ( resid 101 and name HG* ) 3.64 1.84 1.84 assign ( resid 102 and name HN ) ( resid 102 and name HG2 ) 3.03 1.24 1.24 assign ( resid 102 and name HA ) ( resid 102 and name HG2 ) 2.78 0.99 0.99 assign ( resid 102 and name HA ) ( resid 102 and name HG1 ) 2.78 0.99 0.99 assign ( resid 105 and name HA ) ( resid 105 and name HG2 ) 2.96 1.17 1.17 assign ( resid 105 and name HA ) ( resid 105 and name HG1 ) 2.96 1.17 1.17 assign ( resid 105 and name HN ) ( resid 105 and name HG2 ) 3.21 1.42 1.42 assign ( resid 105 and name HA ) ( resid 105 and name HD* ) 4.19 2.40 2.40 assign ( resid 106 and name HA ) ( resid 106 and name HG1 ) 2.57 0.77 0.77 assign ( resid 106 and name HA ) ( resid 106 and name HG2 ) 2.57 0.77 0.77 assign ( resid 113 and name HA ) ( resid 113 and name HG2 ) 2.91 1.11 1.11 assign ( resid 113 and name HA ) ( resid 113 and name HG1 ) 2.91 1.11 1.11 assign ( resid 114 and name HB1 ) ( resid 114 and name HG ) 2.19 0.39 0.39 assign ( resid 116 and name HA ) ( resid 116 and name HG11 ) 2.80 1.00 1.00 assign ( resid 116 and name HN ) ( resid 116 and name HG12 ) 2.75 0.95 0.95 assign ( resid 116 and name HA ) ( resid 116 and name HG12 ) 2.80 1.00 1.00 assign ( resid 116 and name HN ) ( resid 116 and name HG11 ) 2.75 0.95 0.95 assign ( resid 123 and name HA ) ( resid 123 and name HG2 ) 2.58 0.79 0.79 assign ( resid 123 and name HN ) ( resid 123 and name HG2 ) 2.85 1.06 1.06 assign ( resid 123 and name HN ) ( resid 123 and name HG1 ) 2.85 1.06 1.06 assign ( resid 123 and name HA ) ( resid 123 and name HG1 ) 2.58 0.79 0.79 assign ( resid 125 and name HA ) ( resid 125 and name HD2 ) 3.41 1.62 1.62 assign ( resid 3 and name HG12 ) ( resid 4 and name HN ) 3.07 1.27 1.27 assign ( resid 3 and name HG11 ) ( resid 4 and name HN ) 3.07 1.27 1.27 assign ( resid 63 and name HG* ) ( resid 64 and name HN ) 3.51 1.72 1.72 assign ( resid 70 and name HD* ) ( resid 71 and name HN ) 3.80 2.00 2.00 assign ( resid 73 and name HD* ) ( resid 74 and name HN ) 3.49 1.70 1.70 assign ( resid 99 and name HG ) ( resid 100 and name HN ) 3.57 1.78 1.78 assign ( resid 101 and name HG* ) ( resid 102 and name HN ) 3.71 1.91 1.91 assign ( resid 103 and name HG* ) ( resid 104 and name HN ) 4.34 2.54 2.54 assign ( resid 17 and name HA ) ( resid 20 and name HG* ) 3.60 1.81 1.81 assign ( resid 17 and name HB2 ) ( resid 26 and name HA ) 2.96 1.17 1.17 assign ( resid 27 and name HA ) ( resid 30 and name HD* ) 4.03 2.23 2.23 assign ( resid 10 and name HB1 ) ( resid 33 and name HA ) 3.36 1.56 1.56 assign ( resid 10 and name HB2 ) ( resid 33 and name HA ) 2.73 0.93 0.93 assign ( resid 41 and name HA ) ( resid 45 and name HD22 ) 3.68 1.89 1.89 assign ( resid 42 and name HA ) ( resid 47 and name HB2 ) 2.85 1.06 1.06 assign ( resid 42 and name HA ) ( resid 47 and name HG ) 3.23 1.44 1.44 assign ( resid 42 and name HA ) ( resid 47 and name HB1 ) 3.90 2.10 2.10 assign ( resid 73 and name HG1 ) ( resid 77 and name HA ) 2.69 0.90 0.90 assign ( resid 73 and name HG2 ) ( resid 77 and name HA ) 2.69 0.90 0.90 assign ( resid 79 and name HB ) ( resid 80 and name HD2 ) 2.82 1.02 1.02 assign ( resid 79 and name HB ) ( resid 80 and name HD1 ) 2.82 1.02 1.02 assign ( resid 86 and name HA ) ( resid 89 and name HG ) 2.62 0.82 0.82 assign ( resid 89 and name HG ) ( resid 107 and name HG ) 2.37 0.57 0.57 assign ( resid 44 and name HA ) ( resid 44 and name HG2 ) 2.82 1.02 1.02 assign ( resid 101 and name HG* ) ( resid 105 and name HD* ) 4.28 2.48 2.48 assign ( resid 105 and name HN ) ( resid 105 and name HD* ) 3.73 1.93 1.93 assign ( resid 69 and name HB1 ) ( resid 80 and name HA ) 3.11 1.31 1.31 assign ( resid 69 and name HB2 ) ( resid 80 and name HA ) 3.11 1.31 1.31 assign ( resid 82 and name HA ) ( resid 110 and name HB1 ) 2.98 1.18 1.18 assign ( resid 41 and name HG ) ( resid 118 and name HA ) 2.93 1.13 1.13 assign ( resid 3 and name HG2* ) ( resid 3 and name HD1* ) 3.17 1.38 1.38 assign ( resid 5 and name HN ) ( resid 5 and name HG2* ) 3.13 1.33 1.33 assign ( resid 9 and name HN ) ( resid 9 and name HG2* ) 2.81 1.01 1.01 assign ( resid 18 and name HN ) ( resid 18 and name HD2* ) 3.96 2.16 2.16 assign ( resid 18 and name HA ) ( resid 18 and name HD2* ) 3.38 1.59 1.59 assign ( resid 18 and name HN ) ( resid 18 and name HD1* ) 3.70 1.91 1.91 assign ( resid 18 and name HA ) ( resid 18 and name HD1* ) 2.75 0.96 0.96 assign ( resid 23 and name HA ) ( resid 23 and name HD1* ) 3.40 1.60 1.60 assign ( resid 23 and name HA ) ( resid 23 and name HD2* ) 2.79 0.99 0.99 assign ( resid 24 and name HN ) ( resid 24 and name HG1* ) 3.33 1.53 1.53 assign ( resid 24 and name HN ) ( resid 24 and name HG2* ) 2.77 0.97 0.97 assign ( resid 24 and name HA ) ( resid 24 and name HG2* ) 2.77 0.97 0.97 assign ( resid 38 and name HA ) ( resid 38 and name HD1* ) 2.81 1.01 1.01 assign ( resid 40 and name HA ) ( resid 40 and name HD1* ) 3.00 1.21 1.21 assign ( resid 40 and name HA ) ( resid 40 and name HD2* ) 3.07 1.28 1.28 assign ( resid 40 and name HN ) ( resid 40 and name HD2* ) 3.45 1.66 1.66 assign ( resid 41 and name HA ) ( resid 41 and name HD1* ) 2.84 1.05 1.05 assign ( resid 41 and name HA ) ( resid 41 and name HD2* ) 3.16 1.37 1.37 assign ( resid 41 and name HN ) ( resid 41 and name HD1* ) 3.53 1.73 1.73 assign ( resid 41 and name HN ) ( resid 41 and name HD2* ) 3.63 1.84 1.84 assign ( resid 42 and name HN ) ( resid 42 and name HG2* ) 2.95 1.15 1.15 assign ( resid 43 and name HN ) ( resid 43 and name HG2* ) 3.29 1.50 1.50 assign ( resid 43 and name HN ) ( resid 43 and name HD1* ) 3.36 1.57 1.57 assign ( resid 43 and name HA ) ( resid 43 and name HD1* ) 2.93 1.14 1.14 assign ( resid 47 and name HA ) ( resid 47 and name HD1* ) 3.17 1.37 1.37 assign ( resid 47 and name HN ) ( resid 47 and name HD2* ) 4.06 2.27 2.27 assign ( resid 47 and name HA ) ( resid 47 and name HD2* ) 3.06 1.26 1.26 assign ( resid 50 and name HG2* ) ( resid 50 and name HD1* ) 3.12 1.32 1.32 assign ( resid 50 and name HN ) ( resid 50 and name HD1* ) 3.49 1.69 1.69 assign ( resid 50 and name HA ) ( resid 50 and name HD1* ) 2.81 1.01 1.01 assign ( resid 51 and name HN ) ( resid 51 and name HG2* ) 2.86 1.06 1.06 assign ( resid 54 and name HN ) ( resid 54 and name HG2* ) 3.04 1.24 1.24 assign ( resid 65 and name HA ) ( resid 65 and name HD2* ) 2.93 1.14 1.14 assign ( resid 71 and name HN ) ( resid 71 and name HD1* ) 3.76 1.96 1.96 assign ( resid 71 and name HA ) ( resid 71 and name HD1* ) 4.05 2.25 2.25 assign ( resid 71 and name HN ) ( resid 71 and name HD2* ) 3.47 1.68 1.68 assign ( resid 71 and name HA ) ( resid 71 and name HD2* ) 2.64 0.85 0.85 assign ( resid 72 and name HA ) ( resid 72 and name HD2* ) 2.90 1.10 1.10 assign ( resid 72 and name HN ) ( resid 72 and name HD1* ) 3.29 1.50 1.50 assign ( resid 72 and name HA ) ( resid 72 and name HD1* ) 3.81 2.02 2.02 assign ( resid 77 and name HN ) ( resid 77 and name HG2* ) 2.88 1.08 1.08 assign ( resid 79 and name HA ) ( resid 79 and name HD1* ) 3.26 1.46 1.46 assign ( resid 81 and name HN ) ( resid 81 and name HG2* ) 3.34 1.55 1.55 assign ( resid 81 and name HA ) ( resid 81 and name HD1* ) 3.38 1.59 1.59 assign ( resid 82 and name HN ) ( resid 82 and name HD2* ) 3.40 1.60 1.60 assign ( resid 82 and name HA ) ( resid 82 and name HD2* ) 2.86 1.06 1.06 assign ( resid 91 and name HN ) ( resid 91 and name HG2* ) 2.99 1.19 1.19 assign ( resid 97 and name HA ) ( resid 97 and name HD1* ) 3.18 1.39 1.39 assign ( resid 97 and name HN ) ( resid 97 and name HD1* ) 3.58 1.78 1.78 assign ( resid 97 and name HN ) ( resid 97 and name HD2* ) 3.67 1.87 1.87 assign ( resid 97 and name HA ) ( resid 97 and name HD2* ) 2.79 0.99 0.99 assign ( resid 99 and name HN ) ( resid 99 and name HD1* ) 3.89 2.09 2.09 assign ( resid 99 and name HA ) ( resid 99 and name HD1* ) 3.69 1.89 1.89 assign ( resid 99 and name HA ) ( resid 99 and name HD2* ) 2.86 1.06 1.06 assign ( resid 107 and name HA ) ( resid 107 and name HD1* ) 3.78 1.98 1.98 assign ( resid 107 and name HA ) ( resid 107 and name HD2* ) 2.79 0.99 0.99 assign ( resid 107 and name HN ) ( resid 107 and name HD1* ) 4.03 2.23 2.23 assign ( resid 107 and name HN ) ( resid 107 and name HD2* ) 3.54 1.75 1.75 assign ( resid 111 and name HN ) ( resid 111 and name HG2* ) 2.97 1.17 1.17 assign ( resid 114 and name HA ) ( resid 114 and name HD2* ) 3.04 1.24 1.24 assign ( resid 114 and name HA ) ( resid 114 and name HD1* ) 2.88 1.08 1.08 assign ( resid 115 and name HN ) ( resid 115 and name HG2* ) 2.84 1.05 1.05 assign ( resid 115 and name HN ) ( resid 115 and name HG1* ) 3.15 1.35 1.35 assign ( resid 116 and name HA ) ( resid 116 and name HD1* ) 3.17 1.37 1.37 assign ( resid 116 and name HN ) ( resid 116 and name HG2* ) 3.18 1.39 1.39 assign ( resid 119 and name HN ) ( resid 119 and name HG2* ) 2.79 0.99 0.99 assign ( resid 119 and name HA ) ( resid 119 and name HG2* ) 2.77 0.97 0.97 assign ( resid 122 and name HA ) ( resid 122 and name HD2* ) 3.00 1.21 1.21 assign ( resid 122 and name HA ) ( resid 122 and name HD1* ) 3.13 1.33 1.33 assign ( resid 3 and name HG2* ) ( resid 4 and name HN ) 3.22 1.42 1.42 assign ( resid 3 and name HD1* ) ( resid 4 and name HN ) 4.39 2.59 2.59 assign ( resid 5 and name HG2* ) ( resid 6 and name HN ) 3.38 1.59 1.59 assign ( resid 18 and name HD2* ) ( resid 19 and name HN ) 3.83 2.04 2.04 assign ( resid 23 and name HD1* ) ( resid 24 and name HN ) 3.42 1.62 1.62 assign ( resid 26 and name HB* ) ( resid 27 and name HN ) 3.06 1.26 1.26 assign ( resid 33 and name HB* ) ( resid 34 and name HN ) 3.04 1.24 1.24 assign ( resid 40 and name HD2* ) ( resid 41 and name HN ) 4.35 2.56 2.56 assign ( resid 42 and name HG2* ) ( resid 43 and name HN ) 3.56 1.77 1.77 assign ( resid 43 and name HG2* ) ( resid 44 and name HN ) 3.40 1.60 1.60 assign ( resid 50 and name HG2* ) ( resid 51 and name HN ) 3.56 1.77 1.77 assign ( resid 54 and name HG1* ) ( resid 55 and name HN ) 3.42 1.62 1.62 assign ( resid 77 and name HG2* ) ( resid 78 and name HN ) 3.76 1.96 1.96 assign ( resid 81 and name HG2* ) ( resid 82 and name HN ) 3.49 1.69 1.69 assign ( resid 91 and name HG2* ) ( resid 92 and name HN ) 3.58 1.78 1.78 assign ( resid 91 and name HG1* ) ( resid 92 and name HN ) 3.69 1.89 1.89 assign ( resid 97 and name HD1* ) ( resid 98 and name HN ) 3.35 1.55 1.55 assign ( resid 99 and name HD1* ) ( resid 100 and name HN ) 3.53 1.73 1.73 assign ( resid 104 and name HG2* ) ( resid 105 and name HN ) 3.33 1.53 1.53 assign ( resid 111 and name HG1* ) ( resid 112 and name HN ) 3.90 2.11 2.11 assign ( resid 119 and name HG1* ) ( resid 120 and name HN ) 3.49 1.69 1.69 assign ( resid 11 and name HA ) ( resid 14 and name HB* ) 3.16 1.37 1.37 assign ( resid 23 and name HA ) ( resid 26 and name HB* ) 2.88 1.08 1.08 assign ( resid 30 and name HA ) ( resid 33 and name HB* ) 3.25 1.46 1.46 assign ( resid 31 and name HA ) ( resid 34 and name HB* ) 3.29 1.50 1.50 assign ( resid 34 and name HA ) ( resid 37 and name HB* ) 2.95 1.15 1.15 assign ( resid 37 and name HA ) ( resid 118 and name HB* ) 2.89 1.10 1.10 assign ( resid 65 and name HA ) ( resid 68 and name HB* ) 3.33 1.53 1.53 assign ( resid 83 and name HA ) ( resid 86 and name HB* ) 3.20 1.41 1.41 assign ( resid 115 and name HA ) ( resid 118 and name HB* ) 3.11 1.32 1.32 assign ( resid 4 and name HB* ) ( resid 9 and name HG2* ) 3.68 1.88 1.88 assign ( resid 4 and name HA ) ( resid 5 and name HG2* ) 4.41 2.61 2.61 assign ( resid 5 and name HG2* ) ( resid 7 and name HN ) 3.90 2.11 2.11 assign ( resid 4 and name HB* ) ( resid 5 and name HG2* ) 4.85 3.05 3.05 assign ( resid 5 and name HB ) ( resid 40 and name HD2* ) 3.31 1.51 1.51 assign ( resid 7 and name HB* ) ( resid 37 and name HN ) 3.20 1.41 1.41 assign ( resid 7 and name HB* ) ( resid 37 and name HA ) 3.38 1.59 1.59 assign ( resid 7 and name HB* ) ( resid 36 and name HB2 ) 3.25 1.46 1.46 assign ( resid 7 and name HB* ) ( resid 36 and name HB1 ) 3.25 1.46 1.46 assign ( resid 7 and name HB* ) ( resid 115 and name HG2* ) 3.76 1.97 1.97 assign ( resid 7 and name HB* ) ( resid 115 and name HG1* ) 3.98 2.19 2.19 assign ( resid 8 and name HG1 ) ( resid 115 and name HG1* ) 4.03 2.23 2.23 assign ( resid 6 and name HA ) ( resid 9 and name HG2* ) 3.15 1.35 1.35 assign ( resid 14 and name HB* ) ( resid 29 and name HB1 ) 3.09 1.30 1.30 assign ( resid 14 and name HB* ) ( resid 29 and name HB2 ) 3.09 1.30 1.30 assign ( resid 14 and name HB* ) ( resid 26 and name HA ) 3.31 1.51 1.51 assign ( resid 14 and name HB* ) ( resid 29 and name HA ) 4.39 2.59 2.59 assign ( resid 14 and name HB* ) ( resid 30 and name HN ) 3.22 1.42 1.42 assign ( resid 15 and name HA ) ( resid 18 and name HD2* ) 4.16 2.36 2.36 assign ( resid 23 and name HD1* ) ( resid 101 and name HN ) 3.26 1.46 1.46 assign ( resid 23 and name HD2* ) ( resid 101 and name HN ) 3.99 2.20 2.20 assign ( resid 23 and name HD1* ) ( resid 101 and name HA ) 3.08 1.28 1.28 assign ( resid 97 and name HD1* ) ( resid 98 and name HA ) 4.34 2.54 2.54 assign ( resid 23 and name HD1* ) ( resid 100 and name HA ) 3.44 1.64 1.64 assign ( resid 18 and name HA ) ( resid 23 and name HD2* ) 3.60 1.80 1.80 assign ( resid 23 and name HD2* ) ( resid 101 and name HA ) 3.04 1.24 1.24 assign ( resid 23 and name HD1* ) ( resid 101 and name HB1 ) 3.45 1.66 1.66 assign ( resid 23 and name HD1* ) ( resid 101 and name HB2 ) 3.45 1.66 1.66 assign ( resid 23 and name HD2* ) ( resid 101 and name HB2 ) 3.61 1.82 1.82 assign ( resid 23 and name HD2* ) ( resid 101 and name HB1 ) 3.61 1.82 1.82 assign ( resid 24 and name HG1* ) ( resid 25 and name HA ) 3.69 1.89 1.89 assign ( resid 24 and name HG1* ) ( resid 98 and name HA ) 3.33 1.53 1.53 assign ( resid 24 and name HG2* ) ( resid 98 and name HA ) 4.33 2.54 2.54 assign ( resid 24 and name HG1* ) ( resid 25 and name HG2 ) 3.98 2.18 2.18 assign ( resid 24 and name HG1* ) ( resid 25 and name HG1 ) 3.98 2.18 2.18 assign ( resid 18 and name HD1* ) ( resid 26 and name HB* ) 4.20 2.40 2.40 assign ( resid 23 and name HD2* ) ( resid 26 and name HB* ) 4.54 2.74 2.74 assign ( resid 14 and name HB* ) ( resid 26 and name HB* ) 4.75 2.96 2.96 assign ( resid 17 and name HB2 ) ( resid 26 and name HB* ) 3.45 1.66 1.66 assign ( resid 17 and name HB1 ) ( resid 26 and name HB* ) 3.34 1.55 1.55 assign ( resid 14 and name HA ) ( resid 26 and name HB* ) 3.74 1.95 1.95 assign ( resid 18 and name HA ) ( resid 26 and name HB* ) 3.31 1.51 1.51 assign ( resid 25 and name HN ) ( resid 26 and name HB* ) 4.19 2.40 2.40 assign ( resid 18 and name HN ) ( resid 26 and name HB* ) 3.15 1.35 1.35 assign ( resid 26 and name HB* ) ( resid 27 and name HA ) 3.69 1.89 1.89 assign ( resid 30 and name HA ) ( resid 111 and name HG1* ) 3.81 2.02 2.02 assign ( resid 14 and name HB* ) ( resid 30 and name HA ) 3.61 1.82 1.82 assign ( resid 31 and name HA ) ( resid 86 and name HB* ) 3.51 1.71 1.71 assign ( resid 11 and name HN ) ( resid 33 and name HB* ) 3.15 1.35 1.35 assign ( resid 11 and name HA ) ( resid 33 and name HB* ) 3.33 1.53 1.53 assign ( resid 10 and name HB1 ) ( resid 33 and name HB* ) 3.45 1.66 1.66 assign ( resid 11 and name HB1 ) ( resid 33 and name HB* ) 3.65 1.86 1.86 assign ( resid 11 and name HB2 ) ( resid 33 and name HB* ) 3.47 1.68 1.68 assign ( resid 10 and name HB2 ) ( resid 33 and name HB* ) 3.33 1.53 1.53 assign ( resid 34 and name HA ) ( resid 114 and name HD2* ) 3.60 1.80 1.80 assign ( resid 34 and name HB* ) ( resid 111 and name HG1* ) 4.02 2.22 2.22 assign ( resid 34 and name HB* ) ( resid 86 and name HB* ) 3.58 1.79 1.79 assign ( resid 34 and name HB* ) ( resid 111 and name HG2* ) 4.05 2.26 2.26 assign ( resid 31 and name HE* ) ( resid 34 and name HB* ) 4.61 2.81 2.81 assign ( resid 35 and name HG2 ) ( resid 65 and name HD1* ) 3.69 1.89 1.89 assign ( resid 35 and name HG1 ) ( resid 65 and name HD1* ) 3.69 1.89 1.89 assign ( resid 35 and name HG2 ) ( resid 65 and name HD2* ) 3.92 2.13 2.13 assign ( resid 35 and name HG1 ) ( resid 65 and name HD2* ) 3.92 2.13 2.13 assign ( resid 37 and name HA ) ( resid 40 and name HD1* ) 3.13 1.33 1.33 assign ( resid 7 and name HB* ) ( resid 37 and name HB* ) 3.40 1.61 1.61 assign ( resid 37 and name HB* ) ( resid 114 and name HD1* ) 4.70 2.91 2.91 assign ( resid 37 and name HB* ) ( resid 115 and name HG2* ) 3.98 2.19 2.19 assign ( resid 38 and name HA ) ( resid 41 and name HD1* ) 3.08 1.28 1.28 assign ( resid 38 and name HD1* ) ( resid 72 and name HD1* ) 3.96 2.17 2.17 assign ( resid 38 and name HD1* ) ( resid 114 and name HD1* ) 3.91 2.11 2.11 assign ( resid 38 and name HD1* ) ( resid 114 and name HD2* ) 4.13 2.33 2.33 assign ( resid 38 and name HD1* ) ( resid 68 and name HB* ) 4.92 3.12 3.12 assign ( resid 38 and name HD1* ) ( resid 83 and name HB* ) 4.49 2.69 2.69 assign ( resid 38 and name HD1* ) ( resid 69 and name HA ) 3.42 1.62 1.62 assign ( resid 5 and name HB ) ( resid 40 and name HD1* ) 3.58 1.78 1.78 assign ( resid 41 and name HD2* ) ( resid 45 and name HD22 ) 3.61 1.82 1.82 assign ( resid 41 and name HD2* ) ( resid 45 and name HD21 ) 3.61 1.82 1.82 assign ( resid 38 and name HD1* ) ( resid 41 and name HD1* ) 4.29 2.49 2.49 assign ( resid 42 and name HG2* ) ( resid 50 and name HG2* ) 3.80 2.01 2.01 assign ( resid 38 and name HG2* ) ( resid 42 and name HG2* ) 3.94 2.15 2.15 assign ( resid 42 and name HA ) ( resid 47 and name HD1* ) 3.13 1.33 1.33 assign ( resid 42 and name HG1* ) ( resid 50 and name HB ) 3.11 1.32 1.32 assign ( resid 42 and name HG1* ) ( resid 47 and name HB2 ) 2.95 1.15 1.15 assign ( resid 42 and name HG2* ) ( resid 50 and name HB ) 3.94 2.14 2.14 assign ( resid 42 and name HG2* ) ( resid 47 and name HB2 ) 3.54 1.75 1.75 assign ( resid 39 and name HA ) ( resid 42 and name HG2* ) 3.54 1.75 1.75 assign ( resid 42 and name HG2* ) ( resid 60 and name HZ3 ) 3.96 2.16 2.16 assign ( resid 81 and name HN ) ( resid 81 and name HD1* ) 3.49 1.69 1.69 assign ( resid 40 and name HA ) ( resid 43 and name HD1* ) 3.38 1.59 1.59 assign ( resid 43 and name HG2* ) ( resid 44 and name HA ) 3.27 1.48 1.48 assign ( resid 42 and name HG1* ) ( resid 43 and name HA ) 3.38 1.59 1.59 assign ( resid 42 and name HG1* ) ( resid 47 and name HB1 ) 3.54 1.75 1.75 assign ( resid 42 and name HG1* ) ( resid 47 and name HG ) 3.83 2.04 2.04 assign ( resid 42 and name HB ) ( resid 47 and name HD1* ) 3.99 2.20 2.20 assign ( resid 42 and name HG1* ) ( resid 50 and name HG2* ) 3.87 2.08 2.08 assign ( resid 50 and name HD1* ) ( resid 67 and name HB1 ) 2.99 1.19 1.19 assign ( resid 50 and name HD1* ) ( resid 67 and name HG2 ) 3.35 1.55 1.55 assign ( resid 50 and name HD1* ) ( resid 68 and name HB* ) 3.80 2.01 2.01 assign ( resid 50 and name HD1* ) ( resid 68 and name HA ) 3.08 1.28 1.28 assign ( resid 50 and name HD1* ) ( resid 68 and name HN ) 3.31 1.51 1.51 assign ( resid 50 and name HG2* ) ( resid 51 and name HA ) 4.26 2.47 2.47 assign ( resid 50 and name HG2* ) ( resid 54 and name HG2* ) 4.92 3.12 3.12 assign ( resid 51 and name HA ) ( resid 54 and name HG2* ) 3.38 1.59 1.59 assign ( resid 54 and name HG1* ) ( resid 60 and name HA ) 3.79 2.00 2.00 assign ( resid 54 and name HG2* ) ( resid 60 and name HA ) 4.05 2.25 2.25 assign ( resid 65 and name HD2* ) ( resid 83 and name HZ2 ) 3.17 1.37 1.37 assign ( resid 68 and name HA ) ( resid 71 and name HD1* ) 3.20 1.41 1.41 assign ( resid 38 and name HG2* ) ( resid 68 and name HB* ) 3.84 2.04 2.04 assign ( resid 69 and name HA ) ( resid 72 and name HD1* ) 3.58 1.78 1.78 assign ( resid 69 and name HA ) ( resid 79 and name HG2* ) 3.27 1.48 1.48 assign ( resid 38 and name HG2* ) ( resid 72 and name HD1* ) 4.02 2.22 2.22 assign ( resid 47 and name HD1* ) ( resid 72 and name HA ) 3.58 1.78 1.78 assign ( resid 38 and name HA ) ( resid 72 and name HD1* ) 3.61 1.82 1.82 assign ( resid 75 and name HB2 ) ( resid 79 and name HD1* ) 3.36 1.57 1.57 assign ( resid 75 and name HB1 ) ( resid 79 and name HD1* ) 3.36 1.57 1.57 assign ( resid 76 and name HB1 ) ( resid 79 and name HD1* ) 3.44 1.64 1.64 assign ( resid 76 and name HA ) ( resid 77 and name HG2* ) 3.67 1.87 1.87 assign ( resid 78 and name HB2 ) ( resid 82 and name HD1* ) 3.56 1.77 1.77 assign ( resid 78 and name HB1 ) ( resid 82 and name HD1* ) 3.47 1.68 1.68 assign ( resid 78 and name HB1 ) ( resid 82 and name HD2* ) 3.81 2.02 2.02 assign ( resid 78 and name HG2 ) ( resid 82 and name HD1* ) 4.01 2.22 2.22 assign ( resid 78 and name HG1 ) ( resid 82 and name HD1* ) 4.01 2.22 2.22 assign ( resid 79 and name HD1* ) ( resid 117 and name HE* ) 5.47 3.68 3.68 assign ( resid 79 and name HD1* ) ( resid 117 and name HD* ) 5.17 3.37 3.37 assign ( resid 76 and name HB2 ) ( resid 79 and name HD1* ) 3.44 1.64 1.64 assign ( resid 34 and name HB* ) ( resid 114 and name HD1* ) 4.09 2.29 2.29 assign ( resid 38 and name HD1* ) ( resid 79 and name HG2* ) 3.86 2.06 2.06 assign ( resid 81 and name HG2* ) ( resid 82 and name HA ) 3.85 2.05 2.05 assign ( resid 78 and name HA ) ( resid 81 and name HG2* ) 3.83 2.04 2.04 assign ( resid 78 and name HA ) ( resid 81 and name HD1* ) 3.06 1.26 1.26 assign ( resid 81 and name HG2* ) ( resid 82 and name HG ) 3.45 1.66 1.66 assign ( resid 79 and name HA ) ( resid 82 and name HD1* ) 3.29 1.50 1.50 assign ( resid 82 and name HD2* ) ( resid 110 and name HA ) 2.98 1.19 1.19 assign ( resid 82 and name HD1* ) ( resid 114 and name HN ) 3.63 1.84 1.84 assign ( resid 86 and name HA ) ( resid 111 and name HG2* ) 3.65 1.86 1.86 assign ( resid 34 and name HB* ) ( resid 86 and name HA ) 4.30 2.50 2.50 assign ( resid 88 and name HA ) ( resid 91 and name HG2* ) 3.38 1.59 1.59 assign ( resid 97 and name HD1* ) ( resid 99 and name HN ) 3.87 2.07 2.07 assign ( resid 89 and name HA ) ( resid 99 and name HD1* ) 3.33 1.53 1.53 assign ( resid 101 and name HA ) ( resid 104 and name HG2* ) 3.25 1.46 1.46 assign ( resid 101 and name HG* ) ( resid 104 and name HG2* ) 4.06 2.26 2.26 assign ( resid 23 and name HD1* ) ( resid 101 and name HG* ) 4.34 2.55 2.55 assign ( resid 23 and name HD2* ) ( resid 101 and name HG* ) 4.15 2.35 2.35 assign ( resid 104 and name HA ) ( resid 107 and name HD2* ) 3.04 1.24 1.24 assign ( resid 106 and name HE* ) ( resid 107 and name HD2* ) 4.11 2.31 2.31 assign ( resid 82 and name HD2* ) ( resid 113 and name HE* ) 3.73 1.94 1.94 assign ( resid 82 and name HD1* ) ( resid 113 and name HE* ) 4.09 2.30 2.30 assign ( resid 82 and name HD2* ) ( resid 110 and name HB2 ) 3.61 1.82 1.82 assign ( resid 33 and name HB* ) ( resid 111 and name HG1* ) 3.96 2.17 2.17 assign ( resid 30 and name HB* ) ( resid 111 and name HG2* ) 4.00 2.21 2.21 assign ( resid 108 and name HA ) ( resid 111 and name HG2* ) 3.31 1.51 1.51 assign ( resid 30 and name HB* ) ( resid 111 and name HG1* ) 4.34 2.55 2.55 assign ( resid 34 and name HA ) ( resid 111 and name HG1* ) 3.65 1.86 1.86 assign ( resid 34 and name HN ) ( resid 111 and name HG1* ) 3.40 1.60 1.60 assign ( resid 31 and name HN ) ( resid 111 and name HG2* ) 4.41 2.61 2.61 assign ( resid 86 and name HN ) ( resid 111 and name HG2* ) 4.32 2.52 2.52 assign ( resid 11 and name HE* ) ( resid 111 and name HG2* ) 5.47 3.68 3.68 assign ( resid 112 and name HA ) ( resid 115 and name HG2* ) 3.63 1.84 1.84 assign ( resid 82 and name HD2* ) ( resid 113 and name HB2 ) 3.96 2.16 2.16 assign ( resid 82 and name HD2* ) ( resid 113 and name HB1 ) 3.83 2.04 2.04 assign ( resid 82 and name HD1* ) ( resid 113 and name HB1 ) 3.69 1.89 1.89 assign ( resid 111 and name HG2* ) ( resid 114 and name HB2 ) 4.21 2.41 2.41 assign ( resid 82 and name HD1* ) ( resid 114 and name HB2 ) 3.85 2.05 2.05 assign ( resid 23 and name HD2* ) ( resid 104 and name HB ) 3.85 2.05 2.05 assign ( resid 37 and name HB* ) ( resid 115 and name HA ) 2.89 1.10 1.10 assign ( resid 7 and name HB* ) ( resid 115 and name HA ) 3.72 1.93 1.93 assign ( resid 33 and name HB* ) ( resid 115 and name HG2* ) 4.23 2.44 2.44 assign ( resid 37 and name HB* ) ( resid 115 and name HG1* ) 4.70 2.91 2.91 assign ( resid 8 and name HA ) ( resid 115 and name HG1* ) 3.22 1.42 1.42 assign ( resid 116 and name HG2* ) ( resid 120 and name HD22 ) 3.18 1.39 1.39 assign ( resid 116 and name HG2* ) ( resid 120 and name HD21 ) 3.18 1.39 1.39 assign ( resid 113 and name HA ) ( resid 116 and name HD1* ) 3.24 1.44 1.44 assign ( resid 116 and name HG2* ) ( resid 117 and name HA ) 3.63 1.84 1.84 assign ( resid 41 and name HN ) ( resid 118 and name HB* ) 3.63 1.84 1.84 assign ( resid 41 and name HD1* ) ( resid 118 and name HA ) 2.82 1.03 1.03 assign ( resid 115 and name HG2* ) ( resid 118 and name HB* ) 4.11 2.31 2.31 assign ( resid 115 and name HG1* ) ( resid 119 and name HG2* ) 3.85 2.06 2.06 assign ( resid 116 and name HA ) ( resid 119 and name HG2* ) 3.18 1.39 1.39 assign ( resid 119 and name HA ) ( resid 122 and name HD1* ) 3.27 1.48 1.48 assign ( resid 5 and name HG2* ) ( resid 122 and name HD1* ) 4.72 2.92 2.92 assign ( resid 5 and name HG2* ) ( resid 122 and name HD2* ) 4.83 3.03 3.03 assign ( resid 8 and name HG2 ) ( resid 115 and name HG1* ) 4.03 2.23 2.23 assign ( resid 37 and name HN ) ( resid 115 and name HG2* ) 3.74 1.95 1.95 assign ( resid 50 and name HD1* ) ( resid 67 and name HB2 ) 3.58 1.78 1.78 assign ( resid 85 and name HA ) ( resid 107 and name HD2* ) 3.15 1.35 1.35 assign ( resid 86 and name HB* ) ( resid 111 and name HG2* ) 4.03 2.24 2.24 assign ( resid 82 and name HD1* ) ( resid 113 and name HB2 ) 3.44 1.64 1.64 assign ( resid 34 and name HB* ) ( resid 114 and name HD2* ) 3.94 2.15 2.15 assign ( resid 41 and name HD1* ) ( resid 114 and name HA ) 3.29 1.50 1.50 assign ( resid 82 and name HD1* ) ( resid 114 and name HA ) 3.56 1.77 1.77 assign ( resid 37 and name HB* ) ( resid 114 and name HD2* ) 4.41 2.62 2.62 assign ( resid 83 and name HA ) ( resid 114 and name HD2* ) 3.90 2.11 2.11 assign ( resid 83 and name HA ) ( resid 114 and name HD1* ) 4.10 2.31 2.31 assign ( resid 49 and name HG1 ) ( resid 71 and name HD1* ) 3.71 1.91 1.91 assign ( resid 49 and name HG2 ) ( resid 71 and name HD1* ) 3.71 1.91 1.91 assign ( resid 50 and name HD1* ) ( resid 67 and name HG1 ) 3.35 1.55 1.55 assign ( resid 82 and name HD2* ) ( resid 110 and name HB1 ) 3.25 1.46 1.46 assign ( resid 87 and name HE1 ) ( resid 91 and name HG2* ) 3.33 1.53 1.53 assign ( resid 37 and name HA ) ( resid 40 and name HD2* ) 3.47 1.68 1.68 assign ( resid 88 and name HB ) ( resid 107 and name HD2* ) 3.20 1.41 1.41 assign ( resid 89 and name HD1* ) ( resid 111 and name HG2* ) 4.32 2.53 2.53 assign ( resid 41 and name HD1* ) ( resid 118 and name HB* ) 3.80 2.01 2.01 assign ( resid 115 and name HG1* ) ( resid 118 and name HB* ) 4.92 3.12 3.12 assign ( resid 40 and name HB2 ) ( resid 118 and name HB* ) 3.07 1.28 1.28 assign ( resid 119 and name HG1* ) ( resid 120 and name HA ) 3.71 1.91 1.91 assign ( resid 104 and name HA ) ( resid 107 and name HD1* ) 3.92 2.13 2.13 assign ( resid 82 and name HD2* ) ( resid 114 and name HB2 ) 4.24 2.45 2.45 assign ( resid 89 and name HD2* ) ( resid 111 and name HG2* ) 4.32 2.53 2.53 assign ( resid 111 and name HG2* ) ( resid 114 and name HD1* ) 3.87 2.08 2.08 assign ( resid 7 and name HB* ) ( resid 40 and name HD1* ) 4.75 2.96 2.96 assign ( resid 30 and name HB* ) ( resid 33 and name HB* ) 4.36 2.57 2.57 assign ( resid 7 and name HB* ) ( resid 33 and name HB* ) 4.14 2.35 2.35 assign ( resid 33 and name HB* ) ( resid 111 and name HG2* ) 4.92 3.12 3.12 assign ( resid 45 and name HD22 ) ( resid 72 and name HD2* ) 3.65 1.86 1.86 assign ( resid 42 and name HA ) ( resid 72 and name HD2* ) 3.44 1.64 1.64 assign ( resid 50 and name HG2* ) ( resid 68 and name HB* ) 4.00 2.20 2.20 assign ( resid 18 and name HD1* ) ( resid 101 and name HG* ) 3.97 2.17 2.17 assign ( resid 40 and name HD2* ) ( resid 118 and name HB* ) 4.05 2.26 2.26 assign ( resid 18 and name HD1* ) ( resid 23 and name HA ) 3.18 1.39 1.39 assign ( resid 82 and name HD2* ) ( resid 114 and name HD1* ) 3.78 1.99 1.99 assign ( resid 45 and name HD21 ) ( resid 72 and name HD2* ) 3.65 1.86 1.86 assign ( resid 50 and name HN ) ( resid 51 and name HG2* ) 3.58 1.78 1.78 assign ( resid 115 and name HG2* ) ( resid 116 and name HN ) 3.56 1.77 1.77 assign ( resid 60 and name HB2 ) ( resid 60 and name HD1 ) 2.69 0.90 0.90 assign ( resid 83 and name HA ) ( resid 83 and name HE3 ) 2.33 0.54 0.54 assign ( resid 83 and name HA ) ( resid 83 and name HZ3 ) 3.14 1.35 1.35 assign ( resid 35 and name HA ) ( resid 83 and name HZ3 ) 2.37 0.57 0.57 assign ( resid 87 and name HB2 ) ( resid 87 and name HD1 ) 2.66 0.86 0.86 assign ( resid 87 and name HA ) ( resid 87 and name HE3 ) 2.62 0.82 0.82 assign ( resid 117 and name HD* ) ( resid 118 and name HN ) 4.64 2.84 2.84 assign ( resid 7 and name HA ) ( resid 10 and name HD* ) 3.86 2.07 2.07 assign ( resid 10 and name HD* ) ( resid 33 and name HN ) 4.12 2.32 2.32 assign ( resid 10 and name HD* ) ( resid 36 and name HG1 ) 3.72 1.92 1.92 assign ( resid 10 and name HD* ) ( resid 36 and name HB2 ) 4.33 2.54 2.54 assign ( resid 10 and name HD* ) ( resid 36 and name HB1 ) 4.33 2.54 2.54 assign ( resid 10 and name HD* ) ( resid 32 and name HB2 ) 3.92 2.12 2.12 assign ( resid 10 and name HD* ) ( resid 32 and name HB1 ) 3.92 2.12 2.12 assign ( resid 11 and name HD* ) ( resid 12 and name HN ) 3.99 2.19 2.19 assign ( resid 11 and name HD* ) ( resid 12 and name HA ) 4.21 2.41 2.41 assign ( resid 11 and name HD* ) ( resid 12 and name HG* ) 5.40 3.61 3.61 assign ( resid 10 and name HE* ) ( resid 36 and name HG1 ) 3.85 2.05 2.05 assign ( resid 11 and name HE* ) ( resid 112 and name HN ) 3.76 1.96 1.96 assign ( resid 11 and name HE* ) ( resid 112 and name HA ) 4.14 2.34 2.34 assign ( resid 31 and name HD* ) ( resid 86 and name HA ) 4.96 3.17 3.17 assign ( resid 31 and name HE* ) ( resid 83 and name HH2 ) 3.51 1.71 1.71 assign ( resid 31 and name HD* ) ( resid 32 and name HN ) 4.21 2.41 2.41 assign ( resid 31 and name HE* ) ( resid 87 and name HE3 ) 3.51 1.71 1.71 assign ( resid 31 and name HE* ) ( resid 87 and name HA ) 3.79 2.00 2.00 assign ( resid 31 and name HE* ) ( resid 35 and name HG2 ) 4.62 2.83 2.83 assign ( resid 31 and name HE* ) ( resid 35 and name HG1 ) 4.62 2.83 2.83 assign ( resid 63 and name HA ) ( resid 66 and name HD* ) 4.46 2.66 2.66 assign ( resid 66 and name HN ) ( resid 66 and name HE* ) 4.96 3.17 3.17 assign ( resid 17 and name HD* ) ( resid 18 and name HN ) 4.87 3.08 3.08 assign ( resid 10 and name HD* ) ( resid 36 and name HG2 ) 3.72 1.92 1.92 assign ( resid 10 and name HE* ) ( resid 32 and name HE* ) 4.60 2.80 2.80 assign ( resid 10 and name HE* ) ( resid 36 and name HG2 ) 3.85 2.05 2.05 assign ( resid 17 and name HE* ) ( resid 25 and name HB2 ) 3.79 2.00 2.00 assign ( resid 17 and name HE* ) ( resid 25 and name HB1 ) 4.06 2.27 2.27 assign ( resid 14 and name HA ) ( resid 17 and name HD* ) 3.94 2.14 2.14 assign ( resid 17 and name HD* ) ( resid 22 and name HB2 ) 4.37 2.57 2.57 assign ( resid 17 and name HD* ) ( resid 22 and name HB1 ) 4.37 2.57 2.57 assign ( resid 39 and name HA ) ( resid 60 and name HH2 ) 2.76 0.97 0.97 assign ( resid 43 and name HG12 ) ( resid 60 and name HZ2 ) 2.87 1.08 1.08 assign ( resid 42 and name HB ) ( resid 60 and name HH2 ) 2.66 0.86 0.86 assign ( resid 60 and name HE3 ) ( resid 65 and name HG ) 3.16 1.36 1.36 assign ( resid 35 and name HA ) ( resid 83 and name HE3 ) 2.94 1.15 1.15 assign ( resid 35 and name HA ) ( resid 83 and name HH2 ) 2.66 0.86 0.86 assign ( resid 65 and name HB1 ) ( resid 83 and name HZ2 ) 2.51 0.72 0.72 assign ( resid 65 and name HB1 ) ( resid 83 and name HH2 ) 2.98 1.18 1.18 assign ( resid 10 and name HD* ) ( resid 33 and name HA ) 3.90 2.10 2.10 assign ( resid 31 and name HD* ) ( resid 32 and name HA ) 4.53 2.73 2.73 assign ( resid 17 and name HD* ) ( resid 26 and name HA ) 4.75 2.95 2.95 assign ( resid 10 and name HD* ) ( resid 33 and name HB* ) 4.17 2.38 2.38 assign ( resid 9 and name HG2* ) ( resid 10 and name HD* ) 4.90 3.10 3.10 assign ( resid 9 and name HG1* ) ( resid 10 and name HD* ) 4.55 2.76 2.76 assign ( resid 11 and name HD* ) ( resid 33 and name HB* ) 4.35 2.56 2.56 assign ( resid 11 and name HD* ) ( resid 111 and name HG1* ) 4.05 2.25 2.25 assign ( resid 11 and name HD* ) ( resid 115 and name HG2* ) 4.21 2.42 2.42 assign ( resid 11 and name HE* ) ( resid 33 and name HB* ) 5.33 3.53 3.53 assign ( resid 11 and name HE* ) ( resid 111 and name HG1* ) 4.14 2.35 2.35 assign ( resid 11 and name HE* ) ( resid 115 and name HG2* ) 4.36 2.56 2.56 assign ( resid 31 and name HD* ) ( resid 34 and name HB* ) 5.09 3.30 3.30 assign ( resid 31 and name HD* ) ( resid 86 and name HB* ) 4.17 2.38 2.38 assign ( resid 31 and name HE* ) ( resid 86 and name HB* ) 4.52 2.72 2.72 assign ( resid 41 and name HD1* ) ( resid 117 and name HE* ) 4.18 2.38 2.38 assign ( resid 87 and name HD1 ) ( resid 91 and name HG2* ) 3.20 1.41 1.41 assign ( resid 11 and name HD* ) ( resid 115 and name HG1* ) 4.98 3.19 3.19 assign ( resid 41 and name HD1* ) ( resid 117 and name HD* ) 3.98 2.18 2.18 assign ( resid 41 and name HD2* ) ( resid 117 and name HD* ) 4.10 2.31 2.31 assign ( resid 41 and name HD2* ) ( resid 117 and name HE* ) 4.23 2.44 2.44 assign ( resid 60 and name HZ3 ) ( resid 68 and name HB* ) 3.99 2.20 2.20 assign ( resid 42 and name HG1* ) ( resid 60 and name HH2 ) 2.79 0.99 0.99 assign ( resid 43 and name HD1* ) ( resid 60 and name HH2 ) 3.67 1.87 1.87 assign ( resid 50 and name HG2* ) ( resid 60 and name HH2 ) 3.09 1.30 1.30 assign ( resid 42 and name HG1* ) ( resid 60 and name HZ2 ) 3.20 1.41 1.41 assign ( resid 43 and name HD1* ) ( resid 60 and name HZ2 ) 3.13 1.33 1.33 assign ( resid 54 and name HG1* ) ( resid 60 and name HZ2 ) 3.69 1.89 1.89 assign ( resid 54 and name HG2* ) ( resid 60 and name HZ2 ) 3.36 1.57 1.57 assign ( resid 42 and name HG1* ) ( resid 60 and name HZ3 ) 3.15 1.35 1.35 assign ( resid 50 and name HG2* ) ( resid 60 and name HZ3 ) 3.13 1.33 1.33 assign ( resid 60 and name HZ3 ) ( resid 65 and name HD2* ) 3.40 1.60 1.60 assign ( resid 60 and name HE3 ) ( resid 65 and name HD1* ) 3.54 1.75 1.75 assign ( resid 50 and name HG2* ) ( resid 60 and name HE3 ) 3.92 2.13 2.13 assign ( resid 60 and name HE3 ) ( resid 65 and name HD2* ) 3.09 1.30 1.30 assign ( resid 54 and name HG1* ) ( resid 60 and name HD1 ) 3.27 1.48 1.48 assign ( resid 11 and name HE* ) ( resid 115 and name HG1* ) 4.74 2.94 2.94 assign ( resid 87 and name HZ2 ) ( resid 91 and name HG1* ) 3.65 1.86 1.86 assign ( resid 87 and name HZ2 ) ( resid 91 and name HG2* ) 3.18 1.39 1.39 assign ( resid 34 and name HB* ) ( resid 83 and name HE3 ) 2.95 1.15 1.15 assign ( resid 38 and name HD1* ) ( resid 83 and name HE3 ) 3.40 1.60 1.60 assign ( resid 34 and name HB* ) ( resid 83 and name HZ3 ) 2.89 1.10 1.10 assign ( resid 38 and name HD1* ) ( resid 83 and name HZ3 ) 3.53 1.73 1.73 assign ( resid 65 and name HD1* ) ( resid 83 and name HZ2 ) 3.09 1.30 1.30 assign ( resid 65 and name HD1* ) ( resid 83 and name HH2 ) 2.86 1.06 1.06 assign ( resid 65 and name HD2* ) ( resid 83 and name HH2 ) 3.31 1.51 1.51 assign ( resid 42 and name HG2* ) ( resid 60 and name HH2 ) 2.80 1.01 1.01 assign ( resid 51 and name HG2* ) ( resid 60 and name HZ2 ) 3.11 1.32 1.32 assign ( resid 3 and name HA ) ( resid 3 and name HG1* ) 2.74 0.95 0.95 assign ( resid 3 and name HG1* ) ( resid 4 and name HN ) 2.99 1.19 1.19 assign ( resid 6 and name HN ) ( resid 6 and name HB* ) 2.69 0.89 0.89 assign ( resid 6 and name HB* ) ( resid 10 and name HD* ) 4.93 3.14 3.14 assign ( resid 6 and name HB* ) ( resid 10 and name HE* ) 4.38 2.58 2.58 assign ( resid 7 and name HA ) ( resid 36 and name HB* ) 3.47 1.68 1.68 assign ( resid 7 and name HB* ) ( resid 36 and name HB* ) 3.16 1.36 1.36 assign ( resid 8 and name HN ) ( resid 8 and name HG* ) 2.77 0.97 0.97 assign ( resid 8 and name HA ) ( resid 8 and name HG* ) 2.80 1.01 1.01 assign ( resid 8 and name HG* ) ( resid 9 and name HN ) 4.34 2.54 2.54 assign ( resid 8 and name HG* ) ( resid 115 and name HG1* ) 3.75 1.96 1.96 assign ( resid 8 and name HG* ) ( resid 119 and name HG2* ) 3.66 1.86 1.86 assign ( resid 9 and name HA ) ( resid 12 and name HB* ) 2.68 0.89 0.89 assign ( resid 10 and name HD* ) ( resid 32 and name HB* ) 3.83 2.04 2.04 assign ( resid 10 and name HD* ) ( resid 32 and name HD* ) 4.39 2.60 2.60 assign ( resid 10 and name HD* ) ( resid 36 and name HB* ) 4.17 2.38 2.38 assign ( resid 10 and name HD* ) ( resid 36 and name HG* ) 3.61 1.82 1.82 assign ( resid 10 and name HE* ) ( resid 32 and name HD* ) 4.31 2.51 2.51 assign ( resid 10 and name HE* ) ( resid 36 and name HG* ) 3.66 1.87 1.87 assign ( resid 11 and name HE* ) ( resid 15 and name HG* ) 4.32 2.53 2.53 assign ( resid 11 and name HE* ) ( resid 112 and name HB* ) 4.13 2.33 2.33 assign ( resid 11 and name HE* ) ( resid 112 and name HG* ) 4.40 2.60 2.60 assign ( resid 13 and name HN ) ( resid 13 and name HB* ) 2.66 0.86 0.86 assign ( resid 13 and name HN ) ( resid 13 and name HG* ) 2.64 0.84 0.84 assign ( resid 13 and name HA ) ( resid 13 and name HG* ) 2.67 0.87 0.87 assign ( resid 13 and name HA ) ( resid 16 and name HB* ) 2.58 0.79 0.79 assign ( resid 13 and name HB* ) ( resid 14 and name HN ) 2.67 0.87 0.87 assign ( resid 13 and name HG* ) ( resid 14 and name HN ) 3.66 1.87 1.87 assign ( resid 14 and name HN ) ( resid 29 and name HB* ) 3.53 1.73 1.73 assign ( resid 14 and name HA ) ( resid 29 and name HB* ) 3.53 1.73 1.73 assign ( resid 14 and name HB* ) ( resid 29 and name HB* ) 2.98 1.18 1.18 assign ( resid 15 and name HA ) ( resid 15 and name HG* ) 2.75 0.95 0.95 assign ( resid 15 and name HA ) ( resid 18 and name HB* ) 2.64 0.84 0.84 assign ( resid 15 and name HG* ) ( resid 16 and name HN ) 3.73 1.93 1.93 assign ( resid 16 and name HN ) ( resid 16 and name HG* ) 2.73 0.93 0.93 assign ( resid 16 and name HA ) ( resid 16 and name HG* ) 2.77 0.98 0.98 assign ( resid 16 and name HB* ) ( resid 17 and name HN ) 2.62 0.82 0.82 assign ( resid 16 and name HG* ) ( resid 17 and name HN ) 4.10 2.31 2.31 assign ( resid 17 and name HA ) ( resid 20 and name HB* ) 2.78 0.98 0.98 assign ( resid 17 and name HA ) ( resid 22 and name HB* ) 4.34 2.54 2.54 assign ( resid 17 and name HD* ) ( resid 22 and name HB* ) 4.23 2.44 2.44 assign ( resid 17 and name HD* ) ( resid 29 and name HG* ) 4.38 2.58 2.58 assign ( resid 17 and name HE* ) ( resid 29 and name HG* ) 4.41 2.62 2.62 assign ( resid 18 and name HN ) ( resid 18 and name HB* ) 2.60 0.81 0.81 assign ( resid 18 and name HB* ) ( resid 19 and name HN ) 2.72 0.93 0.93 assign ( resid 18 and name HB* ) ( resid 26 and name HB* ) 4.22 2.42 2.42 assign ( resid 20 and name HN ) ( resid 20 and name HB* ) 2.53 0.73 0.73 assign ( resid 20 and name HB* ) ( resid 22 and name HN ) 3.12 1.32 1.32 assign ( resid 22 and name HN ) ( resid 22 and name HB* ) 2.52 0.72 0.72 assign ( resid 23 and name HD1* ) ( resid 101 and name HB* ) 3.35 1.56 1.56 assign ( resid 23 and name HD2* ) ( resid 101 and name HB* ) 3.46 1.67 1.67 assign ( resid 24 and name HA ) ( resid 27 and name HB* ) 3.17 1.37 1.37 assign ( resid 24 and name HG1* ) ( resid 25 and name HG* ) 3.90 2.11 2.11 assign ( resid 25 and name HN ) ( resid 25 and name HG* ) 2.52 0.73 0.73 assign ( resid 25 and name HA ) ( resid 25 and name HG* ) 2.50 0.70 0.70 assign ( resid 25 and name HA ) ( resid 25 and name HE2* ) 4.33 2.53 2.53 assign ( resid 25 and name HG* ) ( resid 26 and name HN ) 4.34 2.54 2.54 assign ( resid 26 and name HN ) ( resid 27 and name HB* ) 4.01 2.22 2.22 assign ( resid 26 and name HA ) ( resid 29 and name HB* ) 3.17 1.37 1.37 assign ( resid 26 and name HB* ) ( resid 27 and name HB* ) 4.63 2.84 2.84 assign ( resid 27 and name HN ) ( resid 27 and name HB* ) 2.56 0.77 0.77 assign ( resid 27 and name HA ) ( resid 89 and name HD* ) 4.57 2.77 2.77 assign ( resid 27 and name HB* ) ( resid 28 and name HN ) 2.88 1.09 1.09 assign ( resid 28 and name HN ) ( resid 28 and name HG* ) 3.42 1.63 1.63 assign ( resid 29 and name HB* ) ( resid 30 and name HN ) 3.02 1.23 1.23 assign ( resid 31 and name HN ) ( resid 31 and name HB* ) 2.55 0.76 0.76 assign ( resid 31 and name HD* ) ( resid 35 and name HG* ) 4.32 2.53 2.53 assign ( resid 31 and name HE* ) ( resid 35 and name HB* ) 4.99 3.20 3.20 assign ( resid 31 and name HE* ) ( resid 35 and name HG* ) 4.43 2.63 2.63 assign ( resid 32 and name HN ) ( resid 32 and name HB* ) 2.63 0.83 0.83 assign ( resid 32 and name HN ) ( resid 32 and name HG* ) 2.98 1.18 1.18 assign ( resid 32 and name HA ) ( resid 32 and name HG* ) 2.89 1.10 1.10 assign ( resid 32 and name HA ) ( resid 32 and name HD* ) 3.17 1.38 1.38 assign ( resid 32 and name HA ) ( resid 35 and name HB* ) 3.31 1.52 1.52 assign ( resid 32 and name HB* ) ( resid 33 and name HN ) 2.83 1.03 1.03 assign ( resid 33 and name HA ) ( resid 36 and name HB* ) 3.35 1.55 1.55 assign ( resid 35 and name HN ) ( resid 35 and name HB* ) 2.75 0.95 0.95 assign ( resid 35 and name HN ) ( resid 35 and name HG* ) 2.95 1.16 1.16 assign ( resid 35 and name HA ) ( resid 35 and name HG* ) 2.76 0.96 0.96 assign ( resid 35 and name HB* ) ( resid 83 and name HZ2 ) 3.11 1.32 1.32 assign ( resid 35 and name HB* ) ( resid 83 and name HH2 ) 3.10 1.30 1.30 assign ( resid 35 and name HG* ) ( resid 36 and name HN ) 3.67 1.88 1.88 assign ( resid 35 and name HG* ) ( resid 65 and name HD1* ) 3.58 1.79 1.79 assign ( resid 35 and name HG* ) ( resid 65 and name HD2* ) 3.74 1.95 1.95 assign ( resid 35 and name HG* ) ( resid 83 and name HH2 ) 3.01 1.21 1.21 assign ( resid 36 and name HN ) ( resid 36 and name HB* ) 2.70 0.91 0.91 assign ( resid 36 and name HN ) ( resid 36 and name HG* ) 2.86 1.07 1.07 assign ( resid 36 and name HB* ) ( resid 37 and name HN ) 3.09 1.30 1.30 assign ( resid 36 and name HG* ) ( resid 37 and name HN ) 4.34 2.54 2.54 assign ( resid 38 and name HN ) ( resid 38 and name HG1* ) 2.66 0.87 0.87 assign ( resid 38 and name HA ) ( resid 38 and name HG1* ) 2.80 1.00 1.00 assign ( resid 38 and name HA ) ( resid 41 and name HB* ) 3.13 1.34 1.34 assign ( resid 38 and name HG1* ) ( resid 83 and name HE3 ) 2.93 1.14 1.14 assign ( resid 38 and name HG1* ) ( resid 83 and name HZ3 ) 3.13 1.34 1.34 assign ( resid 38 and name HD1* ) ( resid 69 and name HB* ) 4.40 2.60 2.60 assign ( resid 41 and name HN ) ( resid 41 and name HB* ) 2.71 0.92 0.92 assign ( resid 41 and name HA ) ( resid 45 and name HD2* ) 3.59 1.79 1.79 assign ( resid 41 and name HB* ) ( resid 45 and name HD2* ) 4.31 2.52 2.52 assign ( resid 41 and name HB2 ) ( resid 45 and name HD21 ) 4.78 2.98 2.98 assign ( resid 41 and name HB2 ) ( resid 45 and name HD22 ) 4.78 2.98 2.98 assign ( resid 41 and name HD1* ) ( resid 45 and name HD2* ) 3.92 2.12 2.12 assign ( resid 41 and name HD2* ) ( resid 45 and name HD2* ) 3.53 1.74 1.74 assign ( resid 44 and name HN ) ( resid 44 and name HB* ) 2.69 0.90 0.90 assign ( resid 44 and name HN ) ( resid 44 and name HG* ) 2.87 1.08 1.08 assign ( resid 44 and name HA ) ( resid 44 and name HG* ) 2.70 0.91 0.91 assign ( resid 44 and name HB* ) ( resid 45 and name HN ) 2.96 1.17 1.17 assign ( resid 44 and name HB* ) ( resid 45 and name HD2* ) 4.77 2.97 2.97 assign ( resid 45 and name HN ) ( resid 45 and name HB* ) 2.57 0.78 0.78 assign ( resid 45 and name HN ) ( resid 45 and name HD2* ) 4.02 2.23 2.23 assign ( resid 45 and name HB* ) ( resid 47 and name HD1* ) 4.76 2.96 2.96 assign ( resid 45 and name HD2* ) ( resid 72 and name HD2* ) 3.56 1.77 1.77 assign ( resid 46 and name HN ) ( resid 46 and name HB* ) 2.59 0.79 0.79 assign ( resid 48 and name HN ) ( resid 48 and name HG* ) 3.04 1.24 1.24 assign ( resid 48 and name HA ) ( resid 48 and name HG* ) 2.59 0.79 0.79 assign ( resid 48 and name HB* ) ( resid 49 and name HN ) 2.73 0.93 0.93 assign ( resid 48 and name HB* ) ( resid 52 and name HN ) 4.07 2.27 2.27 assign ( resid 48 and name HB* ) ( resid 52 and name HD2* ) 3.79 2.00 2.00 assign ( resid 48 and name HB2 ) ( resid 52 and name HD21 ) 4.38 2.59 2.59 assign ( resid 48 and name HB2 ) ( resid 52 and name HD22 ) 4.38 2.59 2.59 assign ( resid 49 and name HN ) ( resid 49 and name HG* ) 2.98 1.19 1.19 assign ( resid 49 and name HA ) ( resid 49 and name HG* ) 2.64 0.84 0.84 assign ( resid 49 and name HA ) ( resid 52 and name HD2* ) 3.57 1.77 1.77 assign ( resid 49 and name HB* ) ( resid 50 and name HN ) 3.09 1.30 1.30 assign ( resid 49 and name HG* ) ( resid 50 and name HN ) 3.33 1.53 1.53 assign ( resid 49 and name HG* ) ( resid 71 and name HD1* ) 3.58 1.79 1.79 assign ( resid 50 and name HN ) ( resid 50 and name HG1* ) 2.96 1.17 1.17 assign ( resid 50 and name HA ) ( resid 53 and name HD2* ) 3.43 1.63 1.63 assign ( resid 50 and name HG2* ) ( resid 64 and name HD2* ) 4.66 2.86 2.86 assign ( resid 50 and name HG1* ) ( resid 51 and name HN ) 4.34 2.54 2.54 assign ( resid 50 and name HD1* ) ( resid 67 and name HD* ) 3.61 1.81 1.81 assign ( resid 53 and name HB* ) ( resid 64 and name HD2* ) 4.75 2.95 2.95 assign ( resid 55 and name HN ) ( resid 55 and name HG* ) 3.13 1.33 1.33 assign ( resid 55 and name HB* ) ( resid 56 and name HN ) 2.70 0.90 0.90 assign ( resid 55 and name HG* ) ( resid 56 and name HN ) 3.71 1.91 1.91 assign ( resid 56 and name HN ) ( resid 56 and name HB* ) 2.43 0.64 0.64 assign ( resid 56 and name HB* ) ( resid 57 and name HN ) 2.67 0.87 0.87 assign ( resid 57 and name HN ) ( resid 57 and name HG* ) 2.79 0.99 0.99 assign ( resid 57 and name HA ) ( resid 57 and name HG* ) 2.68 0.89 0.89 assign ( resid 57 and name HB* ) ( resid 58 and name HN ) 3.01 1.21 1.21 assign ( resid 57 and name HG* ) ( resid 58 and name HN ) 4.14 2.34 2.34 assign ( resid 59 and name HB* ) ( resid 60 and name HN ) 2.82 1.03 1.03 assign ( resid 61 and name HN ) ( resid 61 and name HB* ) 2.77 0.98 0.98 assign ( resid 61 and name HN ) ( resid 61 and name HG* ) 3.20 1.41 1.41 assign ( resid 61 and name HB* ) ( resid 62 and name HN ) 3.13 1.34 1.34 assign ( resid 61 and name HB* ) ( resid 64 and name HN ) 3.49 1.70 1.70 assign ( resid 61 and name HB* ) ( resid 64 and name HD2* ) 4.77 2.97 2.97 assign ( resid 62 and name HN ) ( resid 62 and name HB* ) 2.77 0.98 0.98 assign ( resid 62 and name HA ) ( resid 62 and name HB* ) 2.20 0.40 0.40 assign ( resid 62 and name HB* ) ( resid 65 and name HD1* ) 3.89 2.10 2.10 assign ( resid 63 and name HB* ) ( resid 64 and name HN ) 2.93 1.13 1.13 assign ( resid 63 and name HG* ) ( resid 64 and name HD2* ) 4.77 2.97 2.97 assign ( resid 64 and name HN ) ( resid 64 and name HB* ) 2.45 0.66 0.66 assign ( resid 64 and name HA ) ( resid 64 and name HD2* ) 3.07 1.27 1.27 assign ( resid 64 and name HB* ) ( resid 65 and name HN ) 3.00 1.20 1.20 assign ( resid 66 and name HN ) ( resid 66 and name HB* ) 2.66 0.87 0.87 assign ( resid 66 and name HB* ) ( resid 67 and name HN ) 2.85 1.05 1.05 assign ( resid 67 and name HN ) ( resid 67 and name HD* ) 4.28 2.49 2.49 assign ( resid 67 and name HA ) ( resid 67 and name HD* ) 3.19 1.39 1.39 assign ( resid 67 and name HB2 ) ( resid 67 and name HD* ) 2.78 0.99 0.99 assign ( resid 67 and name HB1 ) ( resid 67 and name HD* ) 2.64 0.85 0.85 assign ( resid 68 and name HA ) ( resid 71 and name HB* ) 3.26 1.46 1.46 assign ( resid 69 and name HN ) ( resid 69 and name HB* ) 2.69 0.89 0.89 assign ( resid 69 and name HN ) ( resid 70 and name HG* ) 4.34 2.54 2.54 assign ( resid 69 and name HB* ) ( resid 79 and name HG2* ) 4.07 2.28 2.28 assign ( resid 69 and name HB* ) ( resid 80 and name HA ) 2.95 1.15 1.15 assign ( resid 70 and name HN ) ( resid 70 and name HG* ) 3.07 1.28 1.28 assign ( resid 70 and name HA ) ( resid 70 and name HG* ) 2.71 0.92 0.92 assign ( resid 70 and name HG* ) ( resid 71 and name HN ) 3.47 1.68 1.68 assign ( resid 71 and name HN ) ( resid 71 and name HB* ) 2.63 0.84 0.84 assign ( resid 71 and name HB* ) ( resid 72 and name HN ) 2.74 0.94 0.94 assign ( resid 72 and name HN ) ( resid 72 and name HB* ) 2.79 0.99 0.99 assign ( resid 72 and name HB* ) ( resid 79 and name HG2* ) 3.60 1.81 1.81 assign ( resid 72 and name HB* ) ( resid 79 and name HD1* ) 3.64 1.85 1.85 assign ( resid 73 and name HN ) ( resid 73 and name HG* ) 3.12 1.33 1.33 assign ( resid 73 and name HA ) ( resid 73 and name HG* ) 2.66 0.86 0.86 assign ( resid 73 and name HB1 ) ( resid 73 and name HG* ) 2.23 0.43 0.43 assign ( resid 73 and name HG* ) ( resid 74 and name HN ) 4.34 2.54 2.54 assign ( resid 73 and name HG* ) ( resid 77 and name HA ) 2.60 0.80 0.80 assign ( resid 75 and name HN ) ( resid 75 and name HB* ) 2.48 0.69 0.69 assign ( resid 75 and name HA ) ( resid 75 and name HD2* ) 3.19 1.40 1.40 assign ( resid 76 and name HB* ) ( resid 79 and name HD1* ) 3.24 1.44 1.44 assign ( resid 78 and name HN ) ( resid 78 and name HG* ) 2.57 0.78 0.78 assign ( resid 78 and name HG* ) ( resid 82 and name HD1* ) 3.94 2.15 2.15 assign ( resid 78 and name HG* ) ( resid 82 and name HD2* ) 4.11 2.31 2.31 assign ( resid 79 and name HN ) ( resid 80 and name HD* ) 2.76 0.96 0.96 assign ( resid 79 and name HB ) ( resid 80 and name HD* ) 2.74 0.94 0.94 assign ( resid 80 and name HD* ) ( resid 81 and name HN ) 3.49 1.70 1.70 assign ( resid 81 and name HN ) ( resid 81 and name HG1* ) 2.75 0.95 0.95 assign ( resid 81 and name HA ) ( resid 81 and name HG1* ) 2.77 0.97 0.97 assign ( resid 81 and name HA ) ( resid 84 and name HB* ) 2.47 0.68 0.68 assign ( resid 82 and name HN ) ( resid 82 and name HB* ) 2.82 1.03 1.03 assign ( resid 82 and name HA ) ( resid 85 and name HB* ) 3.82 2.02 2.02 assign ( resid 82 and name HB* ) ( resid 83 and name HN ) 2.89 1.10 1.10 assign ( resid 82 and name HB* ) ( resid 114 and name HD2* ) 3.79 1.99 1.99 assign ( resid 82 and name HD1* ) ( resid 113 and name HD* ) 4.06 2.26 2.26 assign ( resid 82 and name HD2* ) ( resid 113 and name HD* ) 3.55 1.76 1.76 assign ( resid 84 and name HN ) ( resid 84 and name HG* ) 3.20 1.40 1.40 assign ( resid 84 and name HA ) ( resid 84 and name HG* ) 2.84 1.05 1.05 assign ( resid 85 and name HN ) ( resid 85 and name HB* ) 2.74 0.94 0.94 assign ( resid 85 and name HB* ) ( resid 86 and name HN ) 2.89 1.10 1.10 assign ( resid 85 and name HB* ) ( resid 107 and name HD2* ) 3.91 2.12 2.12 assign ( resid 87 and name HA ) ( resid 90 and name HB* ) 3.19 1.39 1.39 assign ( resid 88 and name HG2* ) ( resid 92 and name HG* ) 4.31 2.51 2.51 assign ( resid 89 and name HN ) ( resid 89 and name HD* ) 4.35 2.56 2.56 assign ( resid 89 and name HD* ) ( resid 104 and name HA ) 4.07 2.27 2.27 assign ( resid 89 and name HD* ) ( resid 111 and name HG2* ) 3.98 2.18 2.18 assign ( resid 90 and name HN ) ( resid 90 and name HB* ) 2.61 0.81 0.81 assign ( resid 90 and name HB* ) ( resid 90 and name HD2 ) 2.68 0.88 0.88 assign ( resid 90 and name HB* ) ( resid 91 and name HN ) 3.04 1.24 1.24 assign ( resid 92 and name HN ) ( resid 92 and name HG* ) 3.87 2.07 2.07 assign ( resid 92 and name HA ) ( resid 92 and name HG* ) 2.78 0.99 0.99 assign ( resid 94 and name HN ) ( resid 95 and name HB* ) 3.53 1.73 1.73 assign ( resid 94 and name HB* ) ( resid 95 and name HN ) 2.96 1.16 1.16 assign ( resid 95 and name HN ) ( resid 95 and name HB* ) 2.80 1.00 1.00 assign ( resid 97 and name HB* ) ( resid 97 and name HG ) 2.23 0.43 0.43 assign ( resid 100 and name HN ) ( resid 103 and name HB* ) 3.35 1.55 1.55 assign ( resid 100 and name HB* ) ( resid 102 and name HN ) 3.18 1.39 1.39 assign ( resid 101 and name HN ) ( resid 101 and name HB* ) 2.55 0.75 0.75 assign ( resid 101 and name HB* ) ( resid 102 and name HN ) 2.66 0.87 0.87 assign ( resid 101 and name HG* ) ( resid 105 and name HG* ) 3.95 2.16 2.16 assign ( resid 101 and name HG* ) ( resid 105 and name HE* ) 4.15 2.35 2.35 assign ( resid 102 and name HN ) ( resid 102 and name HG* ) 2.90 1.10 1.10 assign ( resid 102 and name HN ) ( resid 102 and name HD* ) 3.55 1.75 1.75 assign ( resid 102 and name HA ) ( resid 102 and name HG* ) 2.68 0.89 0.89 assign ( resid 102 and name HA ) ( resid 102 and name HD* ) 3.49 1.70 1.70 assign ( resid 102 and name HG* ) ( resid 103 and name HN ) 4.34 2.54 2.54 assign ( resid 103 and name HB* ) ( resid 104 and name HN ) 2.80 1.01 1.01 assign ( resid 103 and name HB* ) ( resid 104 and name HG2* ) 3.98 2.19 2.19 assign ( resid 104 and name HA ) ( resid 107 and name HB* ) 3.20 1.41 1.41 assign ( resid 105 and name HN ) ( resid 105 and name HG* ) 2.86 1.06 1.06 assign ( resid 105 and name HA ) ( resid 105 and name HG* ) 2.88 1.08 1.08 assign ( resid 105 and name HA ) ( resid 105 and name HE* ) 3.65 1.86 1.86 assign ( resid 105 and name HG* ) ( resid 105 and name HE* ) 2.67 0.88 0.88 assign ( resid 106 and name HN ) ( resid 106 and name HG* ) 3.05 1.26 1.26 assign ( resid 107 and name HN ) ( resid 107 and name HB* ) 2.68 0.88 0.88 assign ( resid 107 and name HB* ) ( resid 108 and name HN ) 3.02 1.23 1.23 assign ( resid 108 and name HN ) ( resid 108 and name HB* ) 2.80 1.01 1.01 assign ( resid 108 and name HA ) ( resid 108 and name HD* ) 4.34 2.54 2.54 assign ( resid 108 and name HG* ) ( resid 112 and name HD* ) 4.78 2.98 2.98 assign ( resid 108 and name HD* ) ( resid 109 and name HN ) 3.62 1.82 1.82 assign ( resid 109 and name HN ) ( resid 109 and name HG* ) 3.06 1.27 1.27 assign ( resid 109 and name HA ) ( resid 112 and name HB* ) 2.52 0.73 0.73 assign ( resid 109 and name HG* ) ( resid 110 and name HN ) 4.28 2.49 2.49 assign ( resid 112 and name HG* ) ( resid 113 and name HN ) 4.19 2.40 2.40 assign ( resid 112 and name HG* ) ( resid 116 and name HD1* ) 3.84 2.04 2.04 assign ( resid 112 and name HD* ) ( resid 116 and name HD1* ) 4.42 2.62 2.62 assign ( resid 113 and name HN ) ( resid 113 and name HG* ) 2.66 0.87 0.87 assign ( resid 113 and name HN ) ( resid 113 and name HD* ) 3.71 1.91 1.91 assign ( resid 113 and name HA ) ( resid 113 and name HG* ) 2.69 0.90 0.90 assign ( resid 116 and name HN ) ( resid 116 and name HG1* ) 2.61 0.82 0.82 assign ( resid 116 and name HA ) ( resid 116 and name HG1* ) 2.69 0.90 0.90 assign ( resid 116 and name HG2* ) ( resid 120 and name HD2* ) 3.10 1.30 1.30 assign ( resid 116 and name HG1* ) ( resid 117 and name HN ) 3.72 1.93 1.93 assign ( resid 117 and name HA ) ( resid 120 and name HB* ) 2.76 0.97 0.97 assign ( resid 118 and name HA ) ( resid 121 and name HB* ) 2.54 0.74 0.74 assign ( resid 120 and name HN ) ( resid 120 and name HB* ) 2.39 0.59 0.59 assign ( resid 120 and name HB* ) ( resid 121 and name HN ) 2.82 1.03 1.03 assign ( resid 121 and name HB* ) ( resid 122 and name HN ) 3.02 1.22 1.22 assign ( resid 121 and name HB* ) ( resid 122 and name HD1* ) 3.98 2.19 2.19 assign ( resid 123 and name HN ) ( resid 123 and name HG* ) 2.69 0.89 0.89 assign ( resid 124 and name HN ) ( resid 124 and name HB* ) 2.58 0.79 0.79 assign ( resid 125 and name HN ) ( resid 125 and name HB* ) 2.61 0.82 0.82 assign ( resid 126 and name HN ) ( resid 126 and name HB* ) 2.77 0.97 0.97 Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1HT MET 1 15.578 -7.850 10.258 2 2H MET 1 2HT MET 1 14.020 -8.400 9.897 3 3H MET 1 3HT MET 1 15.191 -9.489 10.461 4 HA MET 1 HA MET 1 13.650 -8.957 12.215 5 1HB MET 1 2HB MET 1 16.325 -7.603 12.640 6 2HB MET 1 1HB MET 1 15.243 -8.167 13.907 7 1HG MET 1 2HG MET 1 16.722 -9.854 11.903 8 2HG MET 1 1HG MET 1 17.017 -9.748 13.638 9 1HE MET 1 1HE MET 1 15.594 -13.377 13.121 10 2HE MET 1 2HE MET 1 16.944 -12.421 13.732 11 3HE MET 1 3HE MET 1 16.612 -12.471 12.001 12 H SER 2 H SER 2 15.618 -5.993 12.114 13 HA SER 2 HA SER 2 13.277 -4.376 12.551 14 1HB SER 2 2HB SER 2 15.542 -3.806 13.491 15 2HB SER 2 1HB SER 2 16.084 -3.467 11.846 16 HG SER 2 HG SER 2 13.744 -2.203 12.699 17 H ILE 3 H ILE 3 15.300 -5.360 9.880 18 HA ILE 3 HA ILE 3 13.744 -3.757 8.002 19 HB ILE 3 HB ILE 3 15.247 -4.463 6.291 20 1HG1 ILE 3 2HG1 ILE 3 16.465 -6.372 8.298 21 2HG1 ILE 3 1HG1 ILE 3 15.397 -6.841 6.978 22 1HG2 ILE 3 1HG2 ILE 3 17.419 -3.731 7.189 23 2HG2 ILE 3 2HG2 ILE 3 16.792 -3.928 8.825 24 3HG2 ILE 3 3HG2 ILE 3 16.090 -2.717 7.755 25 1HD1 ILE 3 1HD1 ILE 3 18.122 -5.596 6.720 26 2HD1 ILE 3 2HD1 ILE 3 17.045 -5.986 5.378 27 3HD1 ILE 3 3HD1 ILE 3 17.688 -7.275 6.395 28 H SER 4 H SER 4 13.145 -5.063 5.951 29 HA SER 4 HA SER 4 11.740 -6.539 4.989 30 1HB SER 4 2HB SER 4 12.521 -8.400 7.253 31 2HB SER 4 1HB SER 4 11.624 -8.864 5.807 32 HG SER 4 HG SER 4 13.760 -7.646 4.921 33 H THR 5 H THR 5 10.470 -4.680 6.022 34 HA THR 5 HA THR 5 8.747 -5.230 8.216 35 HB THR 5 HB THR 5 7.485 -3.230 7.375 36 HG1 THR 5 1HG THR 5 9.575 -3.045 5.433 37 1HG2 THR 5 1HG2 THR 5 9.282 -1.624 7.819 38 2HG2 THR 5 2HG2 THR 5 10.483 -2.895 7.590 39 3HG2 THR 5 3HG2 THR 5 9.356 -2.980 8.943 40 H SER 6 H SER 6 6.260 -4.940 7.790 41 HA SER 6 HA SER 6 5.329 -7.261 6.573 42 1HB SER 6 2HB SER 6 3.685 -4.769 7.026 43 2HB SER 6 1HB SER 6 3.131 -6.444 7.030 44 HG SER 6 HG SER 6 4.154 -6.797 8.951 45 H ALA 7 H ALA 7 5.633 -3.983 5.314 46 HA ALA 7 HA ALA 7 4.232 -4.351 2.896 47 1HB ALA 7 1HB ALA 7 6.549 -2.507 3.484 48 2HB ALA 7 2HB ALA 7 4.843 -2.138 3.744 49 3HB ALA 7 3HB ALA 7 5.456 -2.387 2.109 50 H GLU 8 H GLU 8 7.705 -4.601 3.636 51 HA GLU 8 HA GLU 8 8.574 -5.422 1.112 52 1HB GLU 8 2HB GLU 8 9.708 -6.043 3.845 53 2HB GLU 8 1HB GLU 8 10.554 -6.316 2.328 54 1HG GLU 8 2HG GLU 8 10.696 -4.007 1.875 55 2HG GLU 8 1HG GLU 8 9.544 -3.612 3.151 56 H VAL 9 H VAL 9 7.415 -7.310 3.875 57 HA VAL 9 HA VAL 9 7.984 -9.868 2.869 58 HB VAL 9 HB VAL 9 5.795 -9.002 4.769 59 1HG1 VAL 9 1HG1 VAL 9 5.708 -11.362 5.462 60 2HG1 VAL 9 2HG1 VAL 9 6.820 -11.771 4.155 61 3HG1 VAL 9 3HG1 VAL 9 5.214 -11.144 3.782 62 1HG2 VAL 9 1HG2 VAL 9 7.309 -9.839 6.503 63 2HG2 VAL 9 2HG2 VAL 9 8.050 -8.534 5.574 64 3HG2 VAL 9 3HG2 VAL 9 8.513 -10.208 5.269 65 H TYR 10 H TYR 10 4.908 -8.035 2.739 66 HA TYR 10 HA TYR 10 3.579 -9.993 1.192 67 1HB TYR 10 2HB TYR 10 3.003 -7.132 1.863 68 2HB TYR 10 1HB TYR 10 2.035 -7.953 0.644 69 HD1 TYR 10 1HD TYR 10 2.886 -7.806 4.207 70 HD2 TYR 10 2HD TYR 10 0.531 -9.744 1.246 71 HE1 TYR 10 1HE TYR 10 1.505 -8.810 5.975 72 HE2 TYR 10 2HE TYR 10 -0.862 -10.754 3.001 73 HH TYR 10 HH TYR 10 -0.651 -11.360 5.403 74 H TYR 11 H TYR 11 5.520 -7.193 0.308 75 HA TYR 11 HA TYR 11 4.921 -7.196 -2.448 76 1HB TYR 11 2HB TYR 11 6.115 -5.361 -1.242 77 2HB TYR 11 1HB TYR 11 7.526 -6.402 -1.123 78 HD1 TYR 11 2HD TYR 11 5.270 -4.778 -3.600 79 HD2 TYR 11 1HD TYR 11 9.114 -6.435 -2.832 80 HE1 TYR 11 2HE TYR 11 6.052 -3.956 -5.783 81 HE2 TYR 11 1HE TYR 11 9.909 -5.614 -5.010 82 HH TYR 11 HH TYR 11 9.070 -4.930 -7.144 83 H GLU 12 H GLU 12 7.276 -8.939 -0.510 84 HA GLU 12 HA GLU 12 8.623 -10.213 -2.661 85 1HB GLU 12 2HB GLU 12 9.582 -9.920 -0.408 86 2HB GLU 12 1HB GLU 12 8.368 -11.005 0.250 87 1HG GLU 12 2HG GLU 12 9.297 -12.850 -1.021 88 2HG GLU 12 1HG GLU 12 10.478 -11.765 -1.758 89 H GLU 13 H GLU 13 5.896 -11.128 -0.596 90 HA GLU 13 HA GLU 13 5.540 -13.726 -1.677 91 1HB GLU 13 2HB GLU 13 3.487 -11.891 -0.431 92 2HB GLU 13 1HB GLU 13 3.288 -13.614 -0.707 93 1HG GLU 13 2HG GLU 13 5.172 -14.043 0.831 94 2HG GLU 13 1HG GLU 13 5.252 -12.312 1.162 95 H ALA 14 H ALA 14 4.382 -10.548 -2.603 96 HA ALA 14 HA ALA 14 2.625 -11.365 -4.649 97 1HB ALA 14 1HB ALA 14 2.839 -9.095 -5.500 98 2HB ALA 14 2HB ALA 14 4.256 -8.831 -4.484 99 3HB ALA 14 3HB ALA 14 2.675 -9.083 -3.744 100 H GLU 15 H GLU 15 6.055 -10.493 -4.675 101 HA GLU 15 HA GLU 15 6.563 -10.906 -7.389 102 1HB GLU 15 2HB GLU 15 8.380 -11.273 -5.002 103 2HB GLU 15 1HB GLU 15 8.933 -11.242 -6.667 104 1HG GLU 15 2HG GLU 15 7.609 -8.999 -5.167 105 2HG GLU 15 1HG GLU 15 9.302 -9.101 -5.647 106 H GLU 16 H GLU 16 6.620 -13.178 -4.674 107 HA GLU 16 HA GLU 16 7.579 -15.423 -6.008 108 1HB GLU 16 2HB GLU 16 6.384 -14.824 -3.491 109 2HB GLU 16 1HB GLU 16 5.593 -16.247 -4.151 110 1HG GLU 16 2HG GLU 16 8.572 -15.961 -3.899 111 2HG GLU 16 1HG GLU 16 7.545 -16.701 -2.675 112 H PHE 17 H PHE 17 4.214 -14.448 -5.469 113 HA PHE 17 HA PHE 17 3.179 -16.593 -7.038 114 1HB PHE 17 2HB PHE 17 2.002 -14.221 -5.682 115 2HB PHE 17 1HB PHE 17 1.054 -14.995 -6.948 116 HD1 PHE 17 2HD PHE 17 3.124 -16.026 -4.013 117 HD2 PHE 17 1HD PHE 17 -0.440 -16.584 -6.269 118 HE1 PHE 17 2HE PHE 17 2.395 -17.758 -2.426 119 HE2 PHE 17 1HE PHE 17 -1.178 -18.312 -4.683 120 HZ PHE 17 HZ PHE 17 0.242 -18.902 -2.762 121 H LEU 18 H LEU 18 3.995 -13.259 -7.754 122 HA LEU 18 HA LEU 18 2.786 -13.026 -10.272 123 1HB LEU 18 2HB LEU 18 3.863 -11.164 -9.046 124 2HB LEU 18 1HB LEU 18 5.432 -11.885 -9.350 125 HG LEU 18 HG LEU 18 4.904 -11.633 -11.829 126 1HD1 LEU 18 1HD1 LEU 18 3.278 -9.918 -12.420 127 2HD1 LEU 18 2HD1 LEU 18 2.796 -9.782 -10.729 128 3HD1 LEU 18 3HD1 LEU 18 2.501 -11.279 -11.612 129 1HD2 LEU 18 1HD2 LEU 18 6.513 -10.229 -10.672 130 2HD2 LEU 18 2HD2 LEU 18 5.214 -9.165 -10.129 131 3HD2 LEU 18 3HD2 LEU 18 5.595 -9.285 -11.847 132 H SER 19 H SER 19 5.838 -14.436 -9.257 133 HA SER 19 HA SER 19 6.591 -15.071 -11.990 134 1HB SER 19 2HB SER 19 8.014 -15.779 -9.416 135 2HB SER 19 1HB SER 19 8.693 -15.779 -11.045 136 HG SER 19 HG SER 19 8.104 -13.639 -9.348 137 H LYS 20 H LYS 20 4.748 -16.445 -9.567 138 HA LYS 20 HA LYS 20 5.414 -19.203 -10.030 139 1HB LYS 20 2HB LYS 20 4.397 -18.200 -7.891 140 2HB LYS 20 1HB LYS 20 2.868 -18.197 -8.759 141 1HG LYS 20 2HG LYS 20 3.005 -20.166 -7.394 142 2HG LYS 20 1HG LYS 20 3.101 -20.636 -9.094 143 1HD LYS 20 2HD LYS 20 5.541 -20.777 -8.911 144 2HD LYS 20 1HD LYS 20 5.435 -20.319 -7.211 145 1HE LYS 20 2HE LYS 20 4.063 -22.332 -6.797 146 2HE LYS 20 1HE LYS 20 4.293 -22.804 -8.481 147 1HZ LYS 20 1HZ LYS 20 6.684 -22.887 -8.077 148 2HZ LYS 20 2HZ LYS 20 5.854 -23.941 -7.040 149 3HZ LYS 20 3HZ LYS 20 6.440 -22.460 -6.455 150 H GLY 21 H GLY 21 3.176 -16.862 -11.279 151 1HA GLY 21 2HA GLY 21 2.540 -17.357 -13.642 152 2HA GLY 21 1HA GLY 21 2.054 -18.938 -13.053 153 H ASP 22 H ASP 22 1.269 -16.756 -10.682 154 HA ASP 22 HA ASP 22 -1.412 -16.382 -11.837 155 1HB ASP 22 2HB ASP 22 -1.220 -18.072 -9.927 156 2HB ASP 22 1HB ASP 22 -0.913 -16.684 -8.882 157 H LEU 23 H LEU 23 -1.680 -14.341 -12.303 158 HA LEU 23 HA LEU 23 -0.170 -12.262 -11.002 159 1HB LEU 23 2HB LEU 23 -2.435 -11.961 -12.974 160 2HB LEU 23 1HB LEU 23 -1.201 -10.776 -12.589 161 HG LEU 23 HG LEU 23 -0.734 -13.399 -14.018 162 1HD1 LEU 23 1HD1 LEU 23 -0.302 -12.006 -15.970 163 2HD1 LEU 23 2HD1 LEU 23 -0.714 -10.563 -15.043 164 3HD1 LEU 23 3HD1 LEU 23 -1.948 -11.779 -15.379 165 1HD2 LEU 23 1HD2 LEU 23 1.197 -12.736 -12.687 166 2HD2 LEU 23 2HD2 LEU 23 1.162 -11.130 -13.415 167 3HD2 LEU 23 3HD2 LEU 23 1.521 -12.544 -14.409 168 H VAL 24 H VAL 24 -3.275 -13.702 -10.693 169 HA VAL 24 HA VAL 24 -4.689 -11.427 -9.731 170 HB VAL 24 HB VAL 24 -5.418 -14.336 -9.385 171 1HG1 VAL 24 1HG1 VAL 24 -7.134 -11.857 -9.404 172 2HG1 VAL 24 2HG1 VAL 24 -6.676 -12.779 -7.971 173 3HG1 VAL 24 3HG1 VAL 24 -7.696 -13.518 -9.207 174 1HG2 VAL 24 1HG2 VAL 24 -6.720 -14.088 -11.438 175 2HG2 VAL 24 2HG2 VAL 24 -5.001 -13.822 -11.733 176 3HG2 VAL 24 3HG2 VAL 24 -6.104 -12.448 -11.636 177 H GLN 25 H GLN 25 -3.506 -14.385 -8.103 178 HA GLN 25 HA GLN 25 -4.220 -13.537 -5.502 179 1HB GLN 25 2HB GLN 25 -2.156 -15.553 -6.400 180 2HB GLN 25 1HB GLN 25 -2.665 -15.331 -4.733 181 1HG GLN 25 2HG GLN 25 -4.978 -15.885 -5.409 182 2HG GLN 25 1HG GLN 25 -4.385 -16.220 -7.034 183 1HE2 GLN 25 1HE2 GLN 25 -4.455 -17.284 -3.723 184 2HE2 GLN 25 2HE2 GLN 25 -3.874 -18.890 -4.026 185 H ALA 26 H ALA 26 -1.439 -12.912 -7.485 186 HA ALA 26 HA ALA 26 0.310 -11.995 -5.458 187 1HB ALA 26 1HB ALA 26 1.081 -12.607 -7.700 188 2HB ALA 26 2HB ALA 26 1.580 -10.971 -7.271 189 3HB ALA 26 3HB ALA 26 0.226 -11.220 -8.375 190 H CYS 27 H CYS 27 -2.282 -10.477 -7.272 191 HA CYS 27 HA CYS 27 -1.574 -7.796 -6.777 192 1HB CYS 27 2HB CYS 27 -4.237 -9.046 -7.430 193 2HB CYS 27 1HB CYS 27 -3.966 -7.308 -7.350 194 HG CYS 27 HG CYS 27 -2.431 -9.460 -9.526 195 H GLU 28 H GLU 28 -3.347 -10.129 -4.829 196 HA GLU 28 HA GLU 28 -4.477 -8.236 -3.047 197 1HB GLU 28 2HB GLU 28 -5.188 -10.656 -3.208 198 2HB GLU 28 1HB GLU 28 -3.713 -11.081 -2.345 199 1HG GLU 28 2HG GLU 28 -4.457 -9.592 -0.488 200 2HG GLU 28 1HG GLU 28 -5.987 -9.389 -1.335 201 H LYS 29 H LYS 29 -1.381 -9.876 -3.213 202 HA LYS 29 HA LYS 29 -0.488 -8.934 -0.668 203 1HB LYS 29 2HB LYS 29 0.712 -10.446 -2.916 204 2HB LYS 29 1HB LYS 29 1.825 -9.545 -1.895 205 1HG LYS 29 2HG LYS 29 1.676 -11.765 -1.048 206 2HG LYS 29 1HG LYS 29 0.847 -10.695 0.082 207 1HD LYS 29 2HD LYS 29 -1.289 -11.330 -1.188 208 2HD LYS 29 1HD LYS 29 -0.332 -12.646 -1.870 209 1HE LYS 29 2HE LYS 29 -0.926 -12.137 1.042 210 2HE LYS 29 1HE LYS 29 -1.526 -13.463 0.050 211 1HZ LYS 29 1HZ LYS 29 0.854 -14.152 -0.211 212 2HZ LYS 29 2HZ LYS 29 0.223 -14.312 1.353 213 3HZ LYS 29 3HZ LYS 29 1.256 -13.018 0.990 214 H TYR 30 H TYR 30 -0.169 -7.819 -4.008 215 HA TYR 30 HA TYR 30 1.583 -5.678 -3.528 216 1HB TYR 30 2HB TYR 30 -0.574 -6.113 -5.581 217 2HB TYR 30 1HB TYR 30 0.320 -4.601 -5.517 218 HD1 TYR 30 1HD TYR 30 2.999 -5.030 -5.346 219 HD2 TYR 30 2HD TYR 30 0.159 -7.653 -7.117 220 HE1 TYR 30 1HE TYR 30 4.774 -6.002 -6.741 221 HE2 TYR 30 2HE TYR 30 1.925 -8.637 -8.512 222 HH TYR 30 HH TYR 30 5.222 -8.133 -7.946 223 H TYR 31 H TYR 31 -1.950 -5.855 -3.410 224 HA TYR 31 HA TYR 31 -2.438 -3.182 -2.726 225 1HB TYR 31 2HB TYR 31 -4.250 -4.579 -3.476 226 2HB TYR 31 1HB TYR 31 -4.012 -5.698 -2.140 227 HD1 TYR 31 1HD TYR 31 -4.962 -2.166 -2.871 228 HD2 TYR 31 2HD TYR 31 -5.234 -5.448 -0.179 229 HE1 TYR 31 1HE TYR 31 -6.611 -0.926 -1.532 230 HE2 TYR 31 2HE TYR 31 -6.881 -4.219 1.166 231 HH TYR 31 HH TYR 31 -8.379 -1.354 0.067 232 H LYS 32 H LYS 32 -2.005 -6.034 -0.649 233 HA LYS 32 HA LYS 32 -2.388 -4.583 1.758 234 1HB LYS 32 2HB LYS 32 -1.306 -7.330 1.175 235 2HB LYS 32 1HB LYS 32 -1.411 -6.689 2.812 236 1HG LYS 32 2HG LYS 32 -3.799 -6.431 2.610 237 2HG LYS 32 1HG LYS 32 -3.742 -6.928 0.920 238 1HD LYS 32 2HD LYS 32 -3.084 -9.152 1.540 239 2HD LYS 32 1HD LYS 32 -2.912 -8.676 3.233 240 1HE LYS 32 2HE LYS 32 -5.278 -8.262 3.410 241 2HE LYS 32 1HE LYS 32 -5.497 -8.540 1.685 242 1HZ LYS 32 1HZ LYS 32 -6.127 -10.412 3.216 243 2HZ LYS 32 2HZ LYS 32 -4.471 -10.634 3.512 244 3HZ LYS 32 3HZ LYS 32 -5.084 -10.822 1.939 245 H ALA 33 H ALA 33 0.436 -5.316 -0.177 246 HA ALA 33 HA ALA 33 2.386 -4.502 1.698 247 1HB ALA 33 1HB ALA 33 2.928 -5.703 -0.385 248 2HB ALA 33 2HB ALA 33 3.871 -4.225 -0.202 249 3HB ALA 33 3HB ALA 33 2.499 -4.263 -1.309 250 H ALA 34 H ALA 34 0.488 -2.752 -0.713 251 HA ALA 34 HA ALA 34 1.620 -0.197 -0.222 252 1HB ALA 34 1HB ALA 34 -1.125 -0.861 -1.287 253 2HB ALA 34 2HB ALA 34 0.340 -0.727 -2.259 254 3HB ALA 34 3HB ALA 34 -0.296 0.690 -1.425 255 H GLU 35 H GLU 35 -1.150 -1.936 1.105 256 HA GLU 35 HA GLU 35 -2.265 0.035 2.689 257 1HB GLU 35 2HB GLU 35 -3.306 -2.151 2.311 258 2HB GLU 35 1HB GLU 35 -2.027 -2.935 3.228 259 1HG GLU 35 2HG GLU 35 -2.728 -1.622 5.205 260 2HG GLU 35 1HG GLU 35 -4.087 -1.023 4.260 261 H GLU 36 H GLU 36 0.247 -2.339 3.524 262 HA GLU 36 HA GLU 36 0.677 -1.485 6.154 263 1HB GLU 36 2HB GLU 36 2.532 -2.819 4.187 264 2HB GLU 36 1HB GLU 36 2.927 -2.571 5.882 265 1HG GLU 36 2HG GLU 36 0.678 -4.235 4.774 266 2HG GLU 36 1HG GLU 36 2.146 -4.813 5.563 267 H ALA 37 H ALA 37 2.236 -0.491 3.121 268 HA ALA 37 HA ALA 37 4.163 1.218 4.225 269 1HB ALA 37 1HB ALA 37 2.740 1.574 1.584 270 2HB ALA 37 2HB ALA 37 4.127 0.520 1.854 271 3HB ALA 37 3HB ALA 37 4.295 2.264 2.049 272 H ILE 38 H ILE 38 0.812 1.888 3.243 273 HA ILE 38 HA ILE 38 0.772 4.621 3.887 274 HB ILE 38 HB ILE 38 -1.464 2.587 3.994 275 1HG1 ILE 38 2HG1 ILE 38 -0.493 2.892 1.769 276 2HG1 ILE 38 1HG1 ILE 38 -2.121 3.563 1.835 277 1HG2 ILE 38 1HG2 ILE 38 -1.651 5.597 4.088 278 2HG2 ILE 38 2HG2 ILE 38 -2.017 4.489 5.412 279 3HG2 ILE 38 3HG2 ILE 38 -3.011 4.484 3.955 280 1HD1 ILE 38 1HD1 ILE 38 -0.605 4.999 0.591 281 2HD1 ILE 38 2HD1 ILE 38 0.442 5.133 2.004 282 3HD1 ILE 38 3HD1 ILE 38 -1.188 5.804 2.049 283 H LYS 39 H LYS 39 -0.022 1.771 5.847 284 HA LYS 39 HA LYS 39 -0.750 3.041 8.214 285 1HB LYS 39 2HB LYS 39 0.624 0.385 7.777 286 2HB LYS 39 1HB LYS 39 -0.069 0.895 9.311 287 1HG LYS 39 2HG LYS 39 -2.252 0.830 8.484 288 2HG LYS 39 1HG LYS 39 -1.711 0.809 6.807 289 1HD LYS 39 2HD LYS 39 -2.530 -1.383 7.491 290 2HD LYS 39 1HD LYS 39 -0.807 -1.438 7.123 291 1HE LYS 39 2HE LYS 39 -0.290 -1.344 9.505 292 2HE LYS 39 1HE LYS 39 -2.011 -1.250 9.880 293 1HZ LYS 39 1HZ LYS 39 -0.692 -3.529 8.494 294 2HZ LYS 39 2HZ LYS 39 -2.324 -3.439 8.949 295 3HZ LYS 39 3HZ LYS 39 -1.117 -3.496 10.136 296 H LEU 40 H LEU 40 2.477 1.977 7.145 297 HA LEU 40 HA LEU 40 3.938 2.894 9.340 298 1HB LEU 40 2HB LEU 40 4.516 2.224 6.515 299 2HB LEU 40 1HB LEU 40 5.710 3.197 7.337 300 HG LEU 40 HG LEU 40 5.684 1.403 9.137 301 1HD1 LEU 40 1HD1 LEU 40 3.642 0.279 8.512 302 2HD1 LEU 40 2HD1 LEU 40 5.013 -0.826 8.433 303 3HD1 LEU 40 3HD1 LEU 40 4.343 -0.149 6.950 304 1HD2 LEU 40 1HD2 LEU 40 6.714 0.723 6.392 305 2HD2 LEU 40 2HD2 LEU 40 7.268 0.003 7.903 306 3HD2 LEU 40 3HD2 LEU 40 7.537 1.719 7.592 307 H LEU 41 H LEU 41 2.982 4.559 6.356 308 HA LEU 41 HA LEU 41 4.472 6.903 6.865 309 1HB LEU 41 2HB LEU 41 2.092 6.414 5.086 310 2HB LEU 41 1HB LEU 41 2.976 7.930 5.132 311 HG LEU 41 HG LEU 41 4.119 5.249 4.343 312 1HD1 LEU 41 1HD1 LEU 41 3.485 7.689 2.693 313 2HD1 LEU 41 2HD1 LEU 41 2.602 6.163 2.669 314 3HD1 LEU 41 3HD1 LEU 41 4.276 6.223 2.114 315 1HD2 LEU 41 1HD2 LEU 41 5.772 6.652 5.456 316 2HD2 LEU 41 2HD2 LEU 41 5.383 7.987 4.371 317 3HD2 LEU 41 3HD2 LEU 41 6.116 6.516 3.732 318 H VAL 42 H VAL 42 1.154 5.990 7.648 319 HA VAL 42 HA VAL 42 0.175 8.426 8.563 320 HB VAL 42 HB VAL 42 -0.346 5.674 9.711 321 1HG1 VAL 42 1HG1 VAL 42 -0.980 7.462 11.269 322 2HG1 VAL 42 2HG1 VAL 42 -2.392 6.618 10.633 323 3HG1 VAL 42 3HG1 VAL 42 -1.959 8.207 10.004 324 1HG2 VAL 42 1HG2 VAL 42 -2.383 5.746 8.335 325 2HG2 VAL 42 2HG2 VAL 42 -0.919 5.810 7.354 326 3HG2 VAL 42 3HG2 VAL 42 -1.852 7.278 7.645 327 H ILE 43 H ILE 43 2.065 5.984 10.285 328 HA ILE 43 HA ILE 43 2.166 7.388 12.753 329 HB ILE 43 HB ILE 43 4.036 5.264 11.697 330 1HG1 ILE 43 2HG1 ILE 43 1.665 4.568 11.632 331 2HG1 ILE 43 1HG1 ILE 43 2.591 3.655 12.811 332 1HG2 ILE 43 1HG2 ILE 43 3.431 6.127 14.521 333 2HG2 ILE 43 2HG2 ILE 43 4.925 6.433 13.637 334 3HG2 ILE 43 3HG2 ILE 43 4.472 4.781 14.057 335 1HD1 ILE 43 1HD1 ILE 43 0.733 5.944 13.413 336 2HD1 ILE 43 2HD1 ILE 43 1.668 5.036 14.601 337 3HD1 ILE 43 3HD1 ILE 43 0.403 4.231 13.674 338 H GLU 44 H GLU 44 4.422 7.058 10.028 339 HA GLU 44 HA GLU 44 6.578 8.423 11.180 340 1HB GLU 44 2HB GLU 44 6.334 6.891 9.071 341 2HB GLU 44 1HB GLU 44 6.038 8.404 8.232 342 1HG GLU 44 2HG GLU 44 8.487 7.797 9.861 343 2HG GLU 44 1HG GLU 44 8.358 7.628 8.117 344 H ASN 45 H ASN 45 4.053 9.559 8.918 345 HA ASN 45 HA ASN 45 5.092 12.249 8.961 346 1HB ASN 45 2HB ASN 45 2.751 10.930 7.626 347 2HB ASN 45 1HB ASN 45 2.847 12.684 7.697 348 1HD2 ASN 45 1HD2 ASN 45 5.658 10.610 7.425 349 2HD2 ASN 45 2HD2 ASN 45 6.073 11.075 5.814 350 H ASN 46 H ASN 46 3.166 10.466 10.993 351 HA ASN 46 HA ASN 46 1.931 10.925 12.816 352 1HB ASN 46 2HB ASN 46 3.779 12.338 13.478 353 2HB ASN 46 1HB ASN 46 3.158 13.669 12.510 354 1HD2 ASN 46 1HD2 ASN 46 3.080 15.012 14.268 355 2HD2 ASN 46 2HD2 ASN 46 1.857 14.867 15.491 356 H LEU 47 H LEU 47 0.140 10.536 11.355 357 HA LEU 47 HA LEU 47 -1.458 12.907 10.773 358 1HB LEU 47 2HB LEU 47 -1.881 10.001 10.116 359 2HB LEU 47 1HB LEU 47 -3.004 11.273 9.701 360 HG LEU 47 HG LEU 47 -0.166 11.080 8.695 361 1HD1 LEU 47 1HD1 LEU 47 -2.776 10.529 7.291 362 2HD1 LEU 47 2HD1 LEU 47 -1.586 9.322 7.781 363 3HD1 LEU 47 3HD1 LEU 47 -1.175 10.517 6.551 364 1HD2 LEU 47 1HD2 LEU 47 -0.915 13.380 8.852 365 2HD2 LEU 47 2HD2 LEU 47 -2.407 12.979 8.002 366 3HD2 LEU 47 3HD2 LEU 47 -0.859 12.877 7.163 367 H LYS 48 H LYS 48 -1.749 13.402 12.982 368 HA LYS 48 HA LYS 48 -2.738 11.665 14.934 369 1HB LYS 48 2HB LYS 48 -1.631 13.900 15.281 370 2HB LYS 48 1HB LYS 48 -3.160 14.649 14.846 371 1HG LYS 48 2HG LYS 48 -4.236 13.515 16.737 372 2HG LYS 48 1HG LYS 48 -2.675 12.819 17.183 373 1HD LYS 48 2HD LYS 48 -1.761 15.086 17.443 374 2HD LYS 48 1HD LYS 48 -3.344 15.758 17.048 375 1HE LYS 48 2HE LYS 48 -4.271 14.496 18.995 376 2HE LYS 48 1HE LYS 48 -2.616 14.061 19.426 377 1HZ LYS 48 1HZ LYS 48 -3.689 16.825 19.226 378 2HZ LYS 48 2HZ LYS 48 -2.093 16.415 19.634 379 3HZ LYS 48 3HZ LYS 48 -3.368 15.985 20.665 380 H GLU 49 H GLU 49 -4.451 13.738 12.646 381 HA GLU 49 HA GLU 49 -7.009 13.413 13.797 382 1HB GLU 49 2HB GLU 49 -6.126 14.168 11.025 383 2HB GLU 49 1HB GLU 49 -7.806 14.158 11.527 384 1HG GLU 49 2HG GLU 49 -5.603 15.842 12.685 385 2HG GLU 49 1HG GLU 49 -6.917 16.396 11.648 386 H ILE 50 H ILE 50 -5.065 11.390 11.822 387 HA ILE 50 HA ILE 50 -7.283 9.744 10.938 388 HB ILE 50 HB ILE 50 -4.300 9.322 10.650 389 1HG1 ILE 50 2HG1 ILE 50 -5.078 11.280 9.421 390 2HG1 ILE 50 1HG1 ILE 50 -4.681 9.982 8.299 391 1HG2 ILE 50 1HG2 ILE 50 -4.880 7.620 8.994 392 2HG2 ILE 50 2HG2 ILE 50 -6.592 7.858 9.348 393 3HG2 ILE 50 3HG2 ILE 50 -5.516 7.210 10.585 394 1HD1 ILE 50 1HD1 ILE 50 -6.710 11.123 7.630 395 2HD1 ILE 50 2HD1 ILE 50 -7.447 10.766 9.192 396 3HD1 ILE 50 3HD1 ILE 50 -7.057 9.454 8.080 397 H THR 51 H THR 51 -4.639 9.638 13.278 398 HA THR 51 HA THR 51 -5.191 7.011 14.202 399 HB THR 51 HB THR 51 -3.858 7.801 16.252 400 HG1 THR 51 1HG THR 51 -2.748 9.752 15.968 401 1HG2 THR 51 1HG2 THR 51 -2.871 6.497 14.441 402 2HG2 THR 51 2HG2 THR 51 -1.740 7.726 15.008 403 3HG2 THR 51 3HG2 THR 51 -2.623 7.968 13.500 404 H ASN 52 H ASN 52 -6.269 10.236 15.214 405 HA ASN 52 HA ASN 52 -7.756 9.518 17.465 406 1HB ASN 52 2HB ASN 52 -8.323 11.609 15.359 407 2HB ASN 52 1HB ASN 52 -9.299 11.424 16.809 408 1HD2 ASN 52 1HD2 ASN 52 -7.839 13.714 15.986 409 2HD2 ASN 52 2HD2 ASN 52 -6.650 14.043 17.203 410 H ASN 53 H ASN 53 -8.512 9.237 14.051 411 HA ASN 53 HA ASN 53 -11.235 8.505 14.434 412 1HB ASN 53 2HB ASN 53 -9.368 8.728 12.149 413 2HB ASN 53 1HB ASN 53 -10.698 7.597 11.949 414 1HD2 ASN 53 1HD2 ASN 53 -9.790 10.936 12.264 415 2HD2 ASN 53 2HD2 ASN 53 -11.349 11.594 11.878 416 H VAL 54 H VAL 54 -8.219 6.707 14.100 417 HA VAL 54 HA VAL 54 -9.652 4.194 13.894 418 HB VAL 54 HB VAL 54 -7.420 4.741 12.739 419 1HG1 VAL 54 1HG1 VAL 54 -6.374 4.017 15.461 420 2HG1 VAL 54 2HG1 VAL 54 -6.172 5.556 14.622 421 3HG1 VAL 54 3HG1 VAL 54 -5.403 4.097 13.991 422 1HG2 VAL 54 1HG2 VAL 54 -8.445 2.547 12.673 423 2HG2 VAL 54 2HG2 VAL 54 -7.737 2.151 14.240 424 3HG2 VAL 54 3HG2 VAL 54 -6.694 2.405 12.840 425 H LYS 55 H LYS 55 -8.262 6.157 16.305 426 HA LYS 55 HA LYS 55 -7.831 4.315 18.378 427 1HB LYS 55 2HB LYS 55 -7.148 6.720 18.339 428 2HB LYS 55 1HB LYS 55 -8.822 7.161 18.613 429 1HG LYS 55 2HG LYS 55 -8.787 6.000 20.757 430 2HG LYS 55 1HG LYS 55 -7.101 5.554 20.490 431 1HD LYS 55 2HD LYS 55 -6.454 7.895 20.471 432 2HD LYS 55 1HD LYS 55 -8.142 8.383 20.637 433 1HE LYS 55 2HE LYS 55 -8.251 7.290 22.811 434 2HE LYS 55 1HE LYS 55 -6.576 6.769 22.644 435 1HZ LYS 55 1HZ LYS 55 -6.831 8.766 24.027 436 2HZ LYS 55 2HZ LYS 55 -7.462 9.604 22.694 437 3HZ LYS 55 3HZ LYS 55 -5.858 9.046 22.664 438 H ASN 56 H ASN 56 -10.698 5.557 16.971 439 HA ASN 56 HA ASN 56 -12.517 5.111 19.097 440 1HB ASN 56 2HB ASN 56 -13.096 6.485 17.146 441 2HB ASN 56 1HB ASN 56 -12.989 5.073 16.105 442 1HD2 ASN 56 1HD2 ASN 56 -14.823 6.644 18.623 443 2HD2 ASN 56 2HD2 ASN 56 -16.280 5.728 18.394 444 H LYS 57 H LYS 57 -11.243 3.107 16.533 445 HA LYS 57 HA LYS 57 -12.794 0.812 17.399 446 1HB LYS 57 2HB LYS 57 -10.991 1.349 15.042 447 2HB LYS 57 1HB LYS 57 -11.718 -0.202 15.370 448 1HG LYS 57 2HG LYS 57 -13.190 2.354 14.815 449 2HG LYS 57 1HG LYS 57 -12.976 1.012 13.689 450 1HD LYS 57 2HD LYS 57 -14.189 -0.446 15.316 451 2HD LYS 57 1HD LYS 57 -14.522 0.996 16.279 452 1HE LYS 57 2HE LYS 57 -15.659 1.994 14.324 453 2HE LYS 57 1HE LYS 57 -15.390 0.498 13.433 454 1HZ LYS 57 1HZ LYS 57 -16.687 -0.662 15.177 455 2HZ LYS 57 2HZ LYS 57 -17.592 0.483 14.312 456 3HZ LYS 57 3HZ LYS 57 -17.046 0.846 15.874 457 H GLY 58 H GLY 58 -11.268 -1.286 16.982 458 1HA GLY 58 2HA GLY 58 -8.966 -0.927 18.780 459 2HA GLY 58 1HA GLY 58 -9.797 -2.445 18.468 460 H ARG 59 H ARG 59 -9.711 -1.378 15.508 461 HA ARG 59 HA ARG 59 -6.927 -1.965 14.903 462 1HB ARG 59 2HB ARG 59 -8.931 -3.940 14.727 463 2HB ARG 59 1HB ARG 59 -8.628 -3.419 13.076 464 1HG ARG 59 2HG ARG 59 -7.227 -5.307 13.613 465 2HG ARG 59 1HG ARG 59 -6.227 -3.868 13.396 466 1HD ARG 59 2HD ARG 59 -6.211 -3.571 15.852 467 2HD ARG 59 1HD ARG 59 -7.097 -5.085 16.012 468 HE ARG 59 HE ARG 59 -4.904 -5.786 14.573 469 1HH1 ARG 59 1HH1 ARG 59 -5.358 -4.066 17.576 470 2HH1 ARG 59 2HH1 ARG 59 -3.867 -4.608 18.276 471 1HH2 ARG 59 1HH2 ARG 59 -2.950 -6.538 15.484 472 2HH2 ARG 59 2HH2 ARG 59 -2.486 -6.023 17.079 473 H TRP 60 H TRP 60 -6.704 -1.852 12.379 474 HA TRP 60 HA TRP 60 -7.650 0.781 11.685 475 1HB TRP 60 2HB TRP 60 -5.809 -1.158 10.273 476 2HB TRP 60 1HB TRP 60 -6.215 0.435 9.642 477 HD1 TRP 60 HD TRP 60 -4.688 -1.009 12.924 478 HE1 TRP 60 1HE TRP 60 -2.835 0.600 13.705 479 HE3 TRP 60 3HE TRP 60 -5.173 2.587 9.318 480 HZ2 TRP 60 2HZ TRP 60 -1.730 3.063 12.893 481 HZ3 TRP 60 3HZ TRP 60 -3.675 4.536 9.394 482 HH2 TRP 60 HH TRP 60 -1.989 4.769 11.146 483 H LYS 61 H LYS 61 -8.847 1.316 9.836 484 HA LYS 61 HA LYS 61 -10.442 -0.893 8.723 485 1HB LYS 61 2HB LYS 61 -11.622 0.498 10.455 486 2HB LYS 61 1HB LYS 61 -11.448 1.880 9.384 487 1HG LYS 61 2HG LYS 61 -13.658 0.923 9.221 488 2HG LYS 61 1HG LYS 61 -12.794 0.744 7.697 489 1HD LYS 61 2HD LYS 61 -12.281 -1.576 8.243 490 2HD LYS 61 1HD LYS 61 -13.099 -1.405 9.795 491 1HE LYS 61 2HE LYS 61 -14.528 -2.526 8.167 492 2HE LYS 61 1HE LYS 61 -15.210 -0.971 8.643 493 1HZ LYS 61 1HZ LYS 61 -13.707 -1.525 6.139 494 2HZ LYS 61 2HZ LYS 61 -14.319 -0.009 6.596 495 3HZ LYS 61 3HZ LYS 61 -15.377 -1.289 6.265 496 H SER 62 H SER 62 -11.335 -0.483 6.581 497 HA SER 62 HA SER 62 -9.394 0.324 4.787 498 1HB SER 62 2HB SER 62 -11.411 0.267 3.137 499 2HB SER 62 1HB SER 62 -10.913 -1.212 3.954 500 HG SER 62 HG SER 62 -13.280 0.056 4.059 501 H GLU 63 H GLU 63 -12.409 2.121 5.625 502 HA GLU 63 HA GLU 63 -11.749 4.283 3.917 503 1HB GLU 63 2HB GLU 63 -13.458 5.555 5.322 504 2HB GLU 63 1HB GLU 63 -14.017 4.167 4.413 505 1HG GLU 63 2HG GLU 63 -13.205 3.735 7.228 506 2HG GLU 63 1HG GLU 63 -14.713 4.601 6.924 507 H ASN 64 H ASN 64 -10.831 3.511 7.165 508 HA ASN 64 HA ASN 64 -9.915 6.083 7.932 509 1HB ASN 64 2HB ASN 64 -10.223 4.336 9.599 510 2HB ASN 64 1HB ASN 64 -9.017 3.328 8.813 511 1HD2 ASN 64 1HD2 ASN 64 -9.557 6.144 10.781 512 2HD2 ASN 64 2HD2 ASN 64 -7.924 6.331 11.315 513 H LEU 65 H LEU 65 -8.394 3.326 6.346 514 HA LEU 65 HA LEU 65 -5.829 4.475 6.024 515 1HB LEU 65 2HB LEU 65 -7.244 2.329 4.444 516 2HB LEU 65 1HB LEU 65 -5.542 2.720 4.283 517 HG LEU 65 HG LEU 65 -6.782 1.792 6.870 518 1HD1 LEU 65 1HD1 LEU 65 -7.054 0.050 5.208 519 2HD1 LEU 65 2HD1 LEU 65 -5.796 -0.396 6.361 520 3HD1 LEU 65 3HD1 LEU 65 -5.354 0.189 4.757 521 1HD2 LEU 65 1HD2 LEU 65 -4.470 1.348 7.496 522 2HD2 LEU 65 2HD2 LEU 65 -4.685 3.046 7.067 523 3HD2 LEU 65 3HD2 LEU 65 -3.919 1.938 5.929 524 H PHE 66 H PHE 66 -8.734 4.438 4.036 525 HA PHE 66 HA PHE 66 -7.630 5.691 1.761 526 1HB PHE 66 2HB PHE 66 -9.842 4.485 1.862 527 2HB PHE 66 1HB PHE 66 -10.497 5.878 2.714 528 HD1 PHE 66 2HD PHE 66 -9.139 4.685 -0.488 529 HD2 PHE 66 1HD PHE 66 -11.072 7.881 1.553 530 HE1 PHE 66 2HE PHE 66 -9.649 5.751 -2.648 531 HE2 PHE 66 1HE PHE 66 -11.588 8.949 -0.602 532 HZ PHE 66 HZ PHE 66 -10.877 7.884 -2.705 533 H LYS 67 H LYS 67 -9.153 6.934 4.684 534 HA LYS 67 HA LYS 67 -9.226 9.656 3.979 535 1HB LYS 67 2HB LYS 67 -10.002 8.132 6.147 536 2HB LYS 67 1HB LYS 67 -8.703 9.112 6.809 537 1HG LYS 67 2HG LYS 67 -11.160 10.157 5.414 538 2HG LYS 67 1HG LYS 67 -10.877 10.152 7.155 539 1HD LYS 67 2HD LYS 67 -8.910 11.605 6.806 540 2HD LYS 67 1HD LYS 67 -9.279 11.653 5.080 541 1HE LYS 67 2HE LYS 67 -10.134 13.642 6.151 542 2HE LYS 67 1HE LYS 67 -11.475 12.638 5.601 543 1HZ LYS 67 1HZ LYS 67 -11.648 11.778 7.891 544 2HZ LYS 67 2HZ LYS 67 -11.935 13.443 7.792 545 3HZ LYS 67 3HZ LYS 67 -10.451 12.875 8.380 546 H ALA 68 H ALA 68 -6.782 7.686 5.598 547 HA ALA 68 HA ALA 68 -4.937 9.735 6.154 548 1HB ALA 68 1HB ALA 68 -4.858 7.483 7.150 549 2HB ALA 68 2HB ALA 68 -3.310 7.975 6.462 550 3HB ALA 68 3HB ALA 68 -4.339 6.833 5.595 551 H SER 69 H SER 69 -5.339 7.635 3.357 552 HA SER 69 HA SER 69 -3.029 8.565 1.979 553 1HB SER 69 2HB SER 69 -5.450 7.158 0.834 554 2HB SER 69 1HB SER 69 -3.836 7.234 0.127 555 HG SER 69 HG SER 69 -4.656 5.882 2.483 556 H LYS 70 H LYS 70 -6.347 9.578 2.170 557 HA LYS 70 HA LYS 70 -6.548 11.198 -0.096 558 1HB LYS 70 2HB LYS 70 -8.035 10.747 2.300 559 2HB LYS 70 1HB LYS 70 -7.883 12.481 2.067 560 1HG LYS 70 2HG LYS 70 -8.914 10.565 -0.015 561 2HG LYS 70 1HG LYS 70 -9.929 11.513 1.073 562 1HD LYS 70 2HD LYS 70 -8.847 13.575 0.155 563 2HD LYS 70 1HD LYS 70 -8.039 12.554 -1.036 564 1HE LYS 70 2HE LYS 70 -10.153 11.856 -1.947 565 2HE LYS 70 1HE LYS 70 -11.029 12.710 -0.677 566 1HZ LYS 70 1HZ LYS 70 -9.453 13.879 -2.902 567 2HZ LYS 70 2HZ LYS 70 -9.949 14.785 -1.557 568 3HZ LYS 70 3HZ LYS 70 -11.107 14.076 -2.572 569 H LEU 71 H LEU 71 -5.282 11.856 3.117 570 HA LEU 71 HA LEU 71 -4.538 14.568 2.515 571 1HB LEU 71 2HB LEU 71 -3.683 12.787 4.802 572 2HB LEU 71 1HB LEU 71 -3.493 14.527 4.722 573 HG LEU 71 HG LEU 71 -6.132 13.065 4.833 574 1HD1 LEU 71 1HD1 LEU 71 -6.289 14.024 7.089 575 2HD1 LEU 71 2HD1 LEU 71 -4.644 14.641 6.927 576 3HD1 LEU 71 3HD1 LEU 71 -4.939 12.902 6.933 577 1HD2 LEU 71 1HD2 LEU 71 -7.105 15.277 5.137 578 2HD2 LEU 71 2HD2 LEU 71 -6.262 15.170 3.592 579 3HD2 LEU 71 3HD2 LEU 71 -5.515 16.015 4.948 580 H LEU 72 H LEU 72 -1.963 14.554 3.760 581 HA LEU 72 HA LEU 72 0.253 14.275 3.378 582 1HB LEU 72 2HB LEU 72 -0.578 11.776 1.906 583 2HB LEU 72 1HB LEU 72 1.057 12.177 2.391 584 HG LEU 72 HG LEU 72 -1.248 11.638 4.267 585 1HD1 LEU 72 1HD1 LEU 72 1.178 9.987 3.587 586 2HD1 LEU 72 2HD1 LEU 72 -0.487 9.629 3.130 587 3HD1 LEU 72 3HD1 LEU 72 -0.014 9.607 4.829 588 1HD2 LEU 72 1HD2 LEU 72 0.316 13.248 5.206 589 2HD2 LEU 72 2HD2 LEU 72 1.666 12.176 4.830 590 3HD2 LEU 72 3HD2 LEU 72 0.458 11.691 6.019 591 H ARG 73 H ARG 73 -1.755 15.370 1.252 592 HA ARG 73 HA ARG 73 -0.457 14.990 -1.261 593 1HB ARG 73 2HB ARG 73 -2.892 15.707 -0.775 594 2HB ARG 73 1HB ARG 73 -2.238 17.326 -0.583 595 1HG ARG 73 2HG ARG 73 -1.703 15.746 -3.065 596 2HG ARG 73 1HG ARG 73 -3.226 16.605 -2.858 597 1HD ARG 73 2HD ARG 73 -2.118 18.703 -2.730 598 2HD ARG 73 1HD ARG 73 -0.537 17.933 -2.581 599 HE ARG 73 HE ARG 73 -1.611 17.064 -4.977 600 1HH1 ARG 73 1HH1 ARG 73 -0.684 20.149 -3.589 601 2HH1 ARG 73 2HH1 ARG 73 -0.210 20.832 -5.120 602 1HH2 ARG 73 1HH2 ARG 73 -0.998 17.957 -6.966 603 2HH2 ARG 73 2HH2 ARG 73 -0.374 19.579 -7.041 604 H SER 74 H SER 74 0.016 17.086 1.436 605 HA SER 74 HA SER 74 1.604 19.045 0.102 606 1HB SER 74 2HB SER 74 1.578 18.299 3.035 607 2HB SER 74 1HB SER 74 2.201 19.794 2.340 608 HG SER 74 HG SER 74 0.138 20.175 3.108 609 H ASN 75 H ASN 75 2.128 15.828 0.893 610 HA ASN 75 HA ASN 75 5.056 16.144 0.925 611 1HB ASN 75 2HB ASN 75 3.817 14.787 2.742 612 2HB ASN 75 1HB ASN 75 3.549 13.586 1.484 613 1HD2 ASN 75 1HD2 ASN 75 5.039 13.294 3.938 614 2HD2 ASN 75 2HD2 ASN 75 6.662 12.898 3.484 615 H ASN 76 H ASN 76 2.563 13.960 -0.412 616 HA ASN 76 HA ASN 76 3.847 14.144 -3.031 617 1HB ASN 76 2HB ASN 76 4.772 12.110 -1.873 618 2HB ASN 76 1HB ASN 76 3.135 11.476 -1.779 619 1HD2 ASN 76 1HD2 ASN 76 5.512 10.415 -3.118 620 2HD2 ASN 76 2HD2 ASN 76 5.086 10.231 -4.781 621 H THR 77 H THR 77 2.363 14.330 -4.602 622 HA THR 77 HA THR 77 -0.369 14.665 -3.759 623 HB THR 77 HB THR 77 0.741 16.264 -5.298 624 HG1 THR 77 1HG THR 77 -1.263 15.367 -6.962 625 1HG2 THR 77 1HG2 THR 77 0.577 14.006 -7.294 626 2HG2 THR 77 2HG2 THR 77 2.055 14.698 -6.627 627 3HG2 THR 77 3HG2 THR 77 1.016 15.674 -7.665 628 H GLU 78 H GLU 78 1.411 12.098 -5.237 629 HA GLU 78 HA GLU 78 -0.861 11.063 -6.685 630 1HB GLU 78 2HB GLU 78 1.936 10.046 -6.279 631 2HB GLU 78 1HB GLU 78 0.710 9.153 -7.155 632 1HG GLU 78 2HG GLU 78 0.479 11.246 -8.603 633 2HG GLU 78 1HG GLU 78 2.006 11.749 -7.876 634 H ILE 79 H ILE 79 0.245 10.835 -3.500 635 HA ILE 79 HA ILE 79 0.019 8.178 -2.826 636 HB ILE 79 HB ILE 79 -0.752 10.556 -1.133 637 1HG1 ILE 79 2HG1 ILE 79 1.793 8.922 -1.296 638 2HG1 ILE 79 1HG1 ILE 79 1.572 10.551 -1.933 639 1HG2 ILE 79 1HG2 ILE 79 -0.412 9.050 0.793 640 2HG2 ILE 79 2HG2 ILE 79 -0.246 7.695 -0.323 641 3HG2 ILE 79 3HG2 ILE 79 -1.777 8.564 -0.214 642 1HD1 ILE 79 1HD1 ILE 79 1.467 9.737 0.966 643 2HD1 ILE 79 2HD1 ILE 79 1.206 11.369 0.350 644 3HD1 ILE 79 3HD1 ILE 79 2.780 10.597 0.160 645 HA PRO 80 HA PRO 80 -4.761 8.691 -1.898 646 1HB PRO 80 2HB PRO 80 -5.955 10.672 -3.421 647 2HB PRO 80 1HB PRO 80 -5.541 10.829 -1.712 648 1HG PRO 80 2HG PRO 80 -4.051 11.775 -4.122 649 2HG PRO 80 1HG PRO 80 -4.292 12.585 -2.562 650 1HD PRO 80 2HD PRO 80 -1.975 11.384 -3.168 651 2HD PRO 80 1HD PRO 80 -2.636 11.334 -1.520 652 H ILE 81 H ILE 81 -3.459 9.598 -5.039 653 HA ILE 81 HA ILE 81 -5.498 8.371 -6.595 654 HB ILE 81 HB ILE 81 -2.669 9.065 -7.412 655 1HG1 ILE 81 2HG1 ILE 81 -5.202 10.706 -7.662 656 2HG1 ILE 81 1HG1 ILE 81 -3.930 10.994 -6.479 657 1HG2 ILE 81 1HG2 ILE 81 -5.152 8.617 -9.068 658 2HG2 ILE 81 2HG2 ILE 81 -3.755 7.544 -8.970 659 3HG2 ILE 81 3HG2 ILE 81 -3.587 9.147 -9.685 660 1HD1 ILE 81 1HD1 ILE 81 -2.359 11.485 -8.258 661 2HD1 ILE 81 2HD1 ILE 81 -3.784 12.517 -8.380 662 3HD1 ILE 81 3HD1 ILE 81 -3.596 11.139 -9.466 663 H LEU 82 H LEU 82 -2.255 7.388 -5.572 664 HA LEU 82 HA LEU 82 -2.177 4.973 -7.042 665 1HB LEU 82 2HB LEU 82 -0.707 5.525 -4.467 666 2HB LEU 82 1HB LEU 82 -0.247 4.412 -5.741 667 HG LEU 82 HG LEU 82 -0.222 7.425 -5.882 668 1HD1 LEU 82 1HD1 LEU 82 2.006 5.404 -5.998 669 2HD1 LEU 82 2HD1 LEU 82 1.621 6.445 -4.627 670 3HD1 LEU 82 3HD1 LEU 82 2.177 7.153 -6.144 671 1HD2 LEU 82 1HD2 LEU 82 -0.929 6.485 -8.023 672 2HD2 LEU 82 2HD2 LEU 82 0.483 5.429 -8.027 673 3HD2 LEU 82 3HD2 LEU 82 0.689 7.178 -8.123 674 H TRP 83 H TRP 83 -3.042 5.678 -3.673 675 HA TRP 83 HA TRP 83 -3.608 3.041 -2.878 676 1HB TRP 83 2HB TRP 83 -3.378 4.883 -1.278 677 2HB TRP 83 1HB TRP 83 -4.833 5.637 -1.916 678 HD1 TRP 83 HD TRP 83 -6.936 5.161 -0.531 679 HE1 TRP 83 1HE TRP 83 -7.697 3.314 1.092 680 HE3 TRP 83 3HE TRP 83 -2.891 2.062 -0.870 681 HZ2 TRP 83 2HZ TRP 83 -6.714 0.869 2.093 682 HZ3 TRP 83 3HZ TRP 83 -2.879 -0.005 0.440 683 HH2 TRP 83 HH TRP 83 -4.751 -0.594 1.899 684 H LYS 84 H LYS 84 -5.663 5.548 -4.307 685 HA LYS 84 HA LYS 84 -8.084 4.104 -4.222 686 1HB LYS 84 2HB LYS 84 -7.629 6.626 -4.670 687 2HB LYS 84 1HB LYS 84 -7.437 6.137 -6.345 688 1HG LYS 84 2HG LYS 84 -9.896 5.315 -4.894 689 2HG LYS 84 1HG LYS 84 -9.732 6.988 -5.422 690 1HD LYS 84 2HD LYS 84 -9.338 6.217 -7.715 691 2HD LYS 84 1HD LYS 84 -9.543 4.546 -7.180 692 1HE LYS 84 2HE LYS 84 -11.818 4.949 -6.569 693 2HE LYS 84 1HE LYS 84 -11.641 6.681 -6.841 694 1HZ LYS 84 1HZ LYS 84 -11.452 4.590 -8.949 695 2HZ LYS 84 2HZ LYS 84 -11.347 6.268 -9.185 696 3HZ LYS 84 3HZ LYS 84 -12.803 5.577 -8.658 697 H SER 85 H SER 85 -5.460 4.221 -6.558 698 HA SER 85 HA SER 85 -6.750 2.742 -8.593 699 1HB SER 85 2HB SER 85 -3.803 3.069 -7.982 700 2HB SER 85 1HB SER 85 -4.456 2.393 -9.475 701 HG SER 85 HG SER 85 -4.685 5.043 -8.486 702 H ALA 86 H ALA 86 -4.670 1.775 -5.879 703 HA ALA 86 HA ALA 86 -4.667 -0.998 -6.473 704 1HB ALA 86 1HB ALA 86 -4.332 0.359 -3.796 705 2HB ALA 86 2HB ALA 86 -3.042 0.056 -4.960 706 3HB ALA 86 3HB ALA 86 -3.872 -1.298 -4.192 707 H TRP 87 H TRP 87 -6.708 1.062 -4.482 708 HA TRP 87 HA TRP 87 -8.461 -0.786 -3.383 709 1HB TRP 87 2HB TRP 87 -8.430 1.624 -2.848 710 2HB TRP 87 1HB TRP 87 -9.060 1.991 -4.440 711 HD1 TRP 87 HD TRP 87 -11.576 2.195 -4.625 712 HE1 TRP 87 1HE TRP 87 -13.590 1.671 -3.106 713 HE3 TRP 87 3HE TRP 87 -9.120 -0.233 -0.869 714 HZ2 TRP 87 2HZ TRP 87 -14.063 0.389 -0.632 715 HZ3 TRP 87 3HZ TRP 87 -10.421 -1.079 1.040 716 HH2 TRP 87 HH TRP 87 -12.841 -0.772 1.155 717 H THR 88 H THR 88 -8.491 0.740 -6.560 718 HA THR 88 HA THR 88 -10.968 -0.124 -7.481 719 HB THR 88 HB THR 88 -8.463 0.332 -9.118 720 HG1 THR 88 1HG THR 88 -9.289 2.087 -7.659 721 1HG2 THR 88 1HG2 THR 88 -11.380 0.449 -9.899 722 2HG2 THR 88 2HG2 THR 88 -10.232 -0.800 -10.381 723 3HG2 THR 88 3HG2 THR 88 -10.015 0.857 -10.941 724 H LEU 89 H LEU 89 -7.821 -1.752 -7.586 725 HA LEU 89 HA LEU 89 -8.475 -3.789 -9.383 726 1HB LEU 89 2HB LEU 89 -6.522 -3.851 -7.084 727 2HB LEU 89 1HB LEU 89 -6.596 -5.042 -8.366 728 HG LEU 89 HG LEU 89 -5.894 -2.126 -8.699 729 1HD1 LEU 89 1HD1 LEU 89 -4.148 -3.452 -7.613 730 2HD1 LEU 89 2HD1 LEU 89 -3.673 -2.965 -9.240 731 3HD1 LEU 89 3HD1 LEU 89 -4.211 -4.616 -8.937 732 1HD2 LEU 89 1HD2 LEU 89 -7.098 -3.008 -10.645 733 2HD2 LEU 89 2HD2 LEU 89 -5.957 -4.350 -10.738 734 3HD2 LEU 89 3HD2 LEU 89 -5.402 -2.699 -11.014 735 H HIS 90 H HIS 90 -9.007 -3.544 -5.919 736 HA HIS 90 HA HIS 90 -9.788 -6.329 -5.732 737 1HB HIS 90 2HB HIS 90 -8.572 -5.009 -3.901 738 2HB HIS 90 1HB HIS 90 -10.130 -4.253 -3.574 739 HD1 HIS 90 1HD HIS 90 -11.975 -5.742 -2.489 740 HD2 HIS 90 2HD HIS 90 -8.325 -7.659 -3.080 741 HE1 HIS 90 1HE HIS 90 -12.101 -7.880 -1.164 742 HE2 HIS 90 2HE HIS 90 -9.912 -9.064 -1.600 743 H VAL 91 H VAL 91 -11.317 -3.160 -5.789 744 HA VAL 91 HA VAL 91 -13.904 -4.098 -5.040 745 HB VAL 91 HB VAL 91 -13.094 -1.529 -6.416 746 1HG1 VAL 91 1HG1 VAL 91 -15.709 -2.262 -5.096 747 2HG1 VAL 91 2HG1 VAL 91 -15.450 -2.047 -6.827 748 3HG1 VAL 91 3HG1 VAL 91 -15.280 -0.675 -5.734 749 1HG2 VAL 91 1HG2 VAL 91 -12.109 -1.760 -4.220 750 2HG2 VAL 91 2HG2 VAL 91 -13.674 -2.184 -3.530 751 3HG2 VAL 91 3HG2 VAL 91 -13.401 -0.560 -4.162 752 H GLU 92 H GLU 92 -12.303 -3.514 -8.137 753 HA GLU 92 HA GLU 92 -14.743 -4.169 -9.576 754 1HB GLU 92 2HB GLU 92 -12.018 -3.252 -10.465 755 2HB GLU 92 1HB GLU 92 -13.248 -3.782 -11.605 756 1HG GLU 92 2HG GLU 92 -13.418 -1.464 -9.698 757 2HG GLU 92 1HG GLU 92 -13.303 -1.396 -11.457 758 H GLY 93 H GLY 93 -13.264 -6.186 -7.951 759 1HA GLY 93 2HA GLY 93 -12.046 -8.107 -9.564 760 2HA GLY 93 1HA GLY 93 -12.942 -8.453 -8.091 761 H PHE 94 H PHE 94 -15.477 -7.682 -8.758 762 HA PHE 94 HA PHE 94 -17.377 -8.175 -9.892 763 1HB PHE 94 2HB PHE 94 -15.970 -7.094 -11.730 764 2HB PHE 94 1HB PHE 94 -15.672 -8.723 -12.314 765 HD1 PHE 94 2HD PHE 94 -18.535 -6.536 -11.332 766 HD2 PHE 94 1HD PHE 94 -17.056 -9.556 -13.945 767 HE1 PHE 94 2HE PHE 94 -20.633 -6.454 -12.612 768 HE2 PHE 94 1HE PHE 94 -19.152 -9.473 -15.229 769 HZ PHE 94 HZ PHE 94 -20.942 -7.925 -14.563 770 H HIS 95 H HIS 95 -15.713 -10.245 -8.609 771 HA HIS 95 HA HIS 95 -15.919 -12.446 -8.106 772 1HB HIS 95 2HB HIS 95 -18.284 -12.379 -8.516 773 2HB HIS 95 1HB HIS 95 -18.042 -12.415 -10.257 774 HD1 HIS 95 1HD HIS 95 -18.516 -14.618 -11.236 775 HD2 HIS 95 2HD HIS 95 -17.120 -14.936 -7.332 776 HE1 HIS 95 1HE HIS 95 -18.510 -17.080 -10.714 777 HE2 HIS 95 2HE HIS 95 -17.429 -17.249 -8.440 778 H GLU 96 H GLU 96 -15.905 -11.881 -11.625 779 HA GLU 96 HA GLU 96 -14.090 -14.120 -11.974 780 1HB GLU 96 2HB GLU 96 -14.175 -13.464 -14.400 781 2HB GLU 96 1HB GLU 96 -15.719 -13.923 -13.699 782 1HG GLU 96 2HG GLU 96 -16.324 -11.566 -13.484 783 2HG GLU 96 1HG GLU 96 -14.774 -11.106 -14.187 784 H LEU 97 H LEU 97 -12.354 -13.370 -10.758 785 HA LEU 97 HA LEU 97 -11.110 -10.883 -11.011 786 1HB LEU 97 2HB LEU 97 -10.179 -13.547 -9.996 787 2HB LEU 97 1HB LEU 97 -9.064 -12.202 -10.109 788 HG LEU 97 HG LEU 97 -9.871 -12.349 -7.860 789 1HD1 LEU 97 1HD1 LEU 97 -11.199 -10.050 -9.276 790 2HD1 LEU 97 2HD1 LEU 97 -9.521 -10.111 -8.736 791 3HD1 LEU 97 3HD1 LEU 97 -10.830 -10.135 -7.554 792 1HD2 LEU 97 1HD2 LEU 97 -12.250 -12.102 -7.304 793 2HD2 LEU 97 2HD2 LEU 97 -11.922 -13.575 -8.215 794 3HD2 LEU 97 3HD2 LEU 97 -12.645 -12.184 -9.022 795 H SER 98 H SER 98 -10.824 -10.330 -13.101 796 HA SER 98 HA SER 98 -8.886 -11.915 -14.642 797 1HB SER 98 2HB SER 98 -10.754 -9.808 -15.747 798 2HB SER 98 1HB SER 98 -9.877 -11.053 -16.637 799 HG SER 98 HG SER 98 -11.822 -11.674 -14.665 800 H LEU 99 H LEU 99 -7.614 -10.571 -12.839 801 HA LEU 99 HA LEU 99 -7.024 -7.859 -13.597 802 1HB LEU 99 2HB LEU 99 -5.632 -9.702 -11.646 803 2HB LEU 99 1HB LEU 99 -5.337 -7.980 -11.803 804 HG LEU 99 HG LEU 99 -7.952 -9.220 -10.943 805 1HD1 LEU 99 1HD1 LEU 99 -7.413 -8.340 -8.735 806 2HD1 LEU 99 2HD1 LEU 99 -5.849 -7.784 -9.332 807 3HD1 LEU 99 3HD1 LEU 99 -6.204 -9.510 -9.265 808 1HD2 LEU 99 1HD2 LEU 99 -8.240 -7.092 -12.107 809 2HD2 LEU 99 2HD2 LEU 99 -7.065 -6.340 -11.028 810 3HD2 LEU 99 3HD2 LEU 99 -8.597 -6.933 -10.387 811 H ASN 100 H ASN 100 -5.801 -7.390 -15.278 812 HA ASN 100 HA ASN 100 -4.021 -9.422 -16.370 813 1HB ASN 100 2HB ASN 100 -5.018 -6.804 -17.492 814 2HB ASN 100 1HB ASN 100 -3.842 -7.820 -18.310 815 1HD2 ASN 100 1HD2 ASN 100 -6.552 -7.004 -19.093 816 2HD2 ASN 100 2HD2 ASN 100 -7.412 -8.471 -19.389 817 H GLU 101 H GLU 101 -1.932 -8.831 -17.159 818 HA GLU 101 HA GLU 101 -0.297 -7.722 -15.151 819 1HB GLU 101 2HB GLU 101 0.408 -9.422 -16.811 820 2HB GLU 101 1HB GLU 101 0.356 -8.195 -18.061 821 1HG GLU 101 2HG GLU 101 2.049 -6.911 -16.698 822 2HG GLU 101 1HG GLU 101 2.232 -8.373 -15.724 823 H LYS 102 H LYS 102 -1.722 -6.426 -18.031 824 HA LYS 102 HA LYS 102 -0.338 -4.134 -18.518 825 1HB LYS 102 2HB LYS 102 -2.235 -5.066 -19.801 826 2HB LYS 102 1HB LYS 102 -3.329 -4.526 -18.544 827 1HG LYS 102 2HG LYS 102 -3.368 -3.033 -20.412 828 2HG LYS 102 1HG LYS 102 -2.715 -2.230 -18.989 829 1HD LYS 102 2HD LYS 102 -0.450 -2.539 -19.836 830 2HD LYS 102 1HD LYS 102 -1.082 -3.389 -21.247 831 1HE LYS 102 2HE LYS 102 -2.239 -1.389 -21.972 832 2HE LYS 102 1HE LYS 102 -1.716 -0.531 -20.524 833 1HZ LYS 102 1HZ LYS 102 0.121 -1.630 -22.585 834 2HZ LYS 102 2HZ LYS 102 0.555 -0.679 -21.252 835 3HZ LYS 102 3HZ LYS 102 -0.375 -0.011 -22.501 836 H GLU 103 H GLU 103 -3.002 -4.574 -16.204 837 HA GLU 103 HA GLU 103 -2.811 -1.923 -15.173 838 1HB GLU 103 2HB GLU 103 -4.158 -4.390 -14.064 839 2HB GLU 103 1HB GLU 103 -4.362 -2.764 -13.445 840 1HG GLU 103 2HG GLU 103 -5.179 -3.778 -16.150 841 2HG GLU 103 1HG GLU 103 -6.241 -3.337 -14.814 842 H VAL 104 H VAL 104 -1.572 -5.079 -14.261 843 HA VAL 104 HA VAL 104 -0.648 -4.496 -11.688 844 HB VAL 104 HB VAL 104 0.489 -6.447 -13.698 845 1HG1 VAL 104 1HG1 VAL 104 0.881 -6.317 -10.708 846 2HG1 VAL 104 2HG1 VAL 104 2.104 -5.975 -11.931 847 3HG1 VAL 104 3HG1 VAL 104 1.454 -7.607 -11.766 848 1HG2 VAL 104 1HG2 VAL 104 -0.840 -8.115 -12.484 849 2HG2 VAL 104 2HG2 VAL 104 -1.854 -6.867 -13.208 850 3HG2 VAL 104 3HG2 VAL 104 -1.515 -6.835 -11.477 851 H LYS 105 H LYS 105 0.952 -4.130 -14.835 852 HA LYS 105 HA LYS 105 3.497 -3.436 -13.939 853 1HB LYS 105 2HB LYS 105 1.981 -2.674 -16.425 854 2HB LYS 105 1HB LYS 105 3.633 -2.142 -16.146 855 1HG LYS 105 2HG LYS 105 4.383 -4.446 -16.032 856 2HG LYS 105 1HG LYS 105 2.722 -5.007 -16.240 857 1HD LYS 105 2HD LYS 105 2.619 -4.081 -18.448 858 2HD LYS 105 1HD LYS 105 4.189 -3.297 -18.242 859 1HE LYS 105 2HE LYS 105 5.306 -5.413 -18.172 860 2HE LYS 105 1HE LYS 105 3.772 -6.278 -18.126 861 1HZ LYS 105 1HZ LYS 105 4.712 -4.618 -20.404 862 2HZ LYS 105 2HZ LYS 105 3.292 -5.544 -20.350 863 3HZ LYS 105 3HZ LYS 105 4.804 -6.307 -20.329 864 H LYS 106 H LYS 106 0.608 -1.454 -14.231 865 HA LYS 106 HA LYS 106 1.959 1.007 -13.670 866 1HB LYS 106 2HB LYS 106 -0.962 0.273 -13.399 867 2HB LYS 106 1HB LYS 106 -0.315 1.902 -13.265 868 1HG LYS 106 2HG LYS 106 0.425 1.800 -15.588 869 2HG LYS 106 1HG LYS 106 -0.219 0.160 -15.718 870 1HD LYS 106 2HD LYS 106 -1.823 2.636 -15.079 871 2HD LYS 106 1HD LYS 106 -1.772 1.822 -16.645 872 1HE LYS 106 2HE LYS 106 -2.704 -0.196 -15.627 873 2HE LYS 106 1HE LYS 106 -2.740 0.606 -14.058 874 1HZ LYS 106 1HZ LYS 106 -4.208 1.624 -16.429 875 2HZ LYS 106 2HZ LYS 106 -4.388 2.109 -14.810 876 3HZ LYS 106 3HZ LYS 106 -4.896 0.563 -15.298 877 H LEU 107 H LEU 107 -0.213 -1.072 -11.773 878 HA LEU 107 HA LEU 107 -0.029 0.425 -9.416 879 1HB LEU 107 2HB LEU 107 -0.999 -2.298 -10.098 880 2HB LEU 107 1HB LEU 107 -0.736 -1.926 -8.406 881 HG LEU 107 HG LEU 107 -3.039 -1.544 -8.905 882 1HD1 LEU 107 1HD1 LEU 107 -3.274 0.819 -8.331 883 2HD1 LEU 107 2HD1 LEU 107 -1.576 1.083 -8.726 884 3HD1 LEU 107 3HD1 LEU 107 -2.017 0.035 -7.377 885 1HD2 LEU 107 1HD2 LEU 107 -2.881 -1.287 -11.321 886 2HD2 LEU 107 2HD2 LEU 107 -2.117 0.289 -11.114 887 3HD2 LEU 107 3HD2 LEU 107 -3.788 0.044 -10.603 888 H LYS 108 H LYS 108 1.943 -2.264 -10.571 889 HA LYS 108 HA LYS 108 3.261 -2.794 -8.143 890 1HB LYS 108 2HB LYS 108 3.390 -4.300 -10.085 891 2HB LYS 108 1HB LYS 108 4.336 -3.097 -10.953 892 1HG LYS 108 2HG LYS 108 6.147 -3.306 -9.415 893 2HG LYS 108 1HG LYS 108 5.188 -4.332 -8.347 894 1HD LYS 108 2HD LYS 108 5.070 -6.024 -10.151 895 2HD LYS 108 1HD LYS 108 6.130 -5.006 -11.132 896 1HE LYS 108 2HE LYS 108 7.918 -5.236 -9.589 897 2HE LYS 108 1HE LYS 108 6.872 -5.986 -8.384 898 1HZ LYS 108 1HZ LYS 108 7.785 -7.148 -10.958 899 2HZ LYS 108 2HZ LYS 108 6.568 -7.835 -9.997 900 3HZ LYS 108 3HZ LYS 108 8.138 -7.692 -9.386 901 H GLU 109 H GLU 109 3.929 -0.493 -10.732 902 HA GLU 109 HA GLU 109 6.366 0.474 -9.619 903 1HB GLU 109 2HB GLU 109 4.446 1.683 -11.615 904 2HB GLU 109 1HB GLU 109 5.994 2.399 -11.189 905 1HG GLU 109 2HG GLU 109 5.719 -0.378 -12.298 906 2HG GLU 109 1HG GLU 109 5.951 1.052 -13.303 907 H ASP 110 H ASP 110 2.985 1.394 -9.358 908 HA ASP 110 HA ASP 110 3.462 3.816 -7.947 909 1HB ASP 110 2HB ASP 110 0.983 2.116 -8.234 910 2HB ASP 110 1HB ASP 110 1.009 3.673 -7.410 911 H VAL 111 H VAL 111 2.615 0.523 -6.908 912 HA VAL 111 HA VAL 111 2.658 1.118 -4.127 913 HB VAL 111 HB VAL 111 3.131 -1.515 -5.549 914 1HG1 VAL 111 1HG1 VAL 111 2.628 -2.580 -3.396 915 2HG1 VAL 111 2HG1 VAL 111 2.560 -0.992 -2.631 916 3HG1 VAL 111 3HG1 VAL 111 4.079 -1.582 -3.304 917 1HG2 VAL 111 1HG2 VAL 111 0.813 -2.001 -4.909 918 2HG2 VAL 111 2HG2 VAL 111 0.925 -0.604 -5.979 919 3HG2 VAL 111 3HG2 VAL 111 0.662 -0.372 -4.250 920 H ARG 112 H ARG 112 5.092 0.219 -6.475 921 HA ARG 112 HA ARG 112 7.263 -0.291 -4.782 922 1HB ARG 112 2HB ARG 112 6.974 -0.491 -7.380 923 2HB ARG 112 1HB ARG 112 7.593 1.152 -7.391 924 1HG ARG 112 2HG ARG 112 9.665 0.464 -6.448 925 2HG ARG 112 1HG ARG 112 9.039 -1.156 -6.114 926 1HD ARG 112 2HD ARG 112 8.705 -1.465 -8.557 927 2HD ARG 112 1HD ARG 112 9.483 0.092 -8.823 928 HE ARG 112 HE ARG 112 11.381 -1.176 -7.470 929 1HH1 ARG 112 1HH1 ARG 112 9.352 -2.278 -10.096 930 2HH1 ARG 112 2HH1 ARG 112 10.529 -3.398 -10.717 931 1HH2 ARG 112 1HH2 ARG 112 12.970 -2.642 -8.324 932 2HH2 ARG 112 2HH2 ARG 112 12.569 -3.582 -9.727 933 H LYS 113 H LYS 113 5.889 2.728 -5.984 934 HA LYS 113 HA LYS 113 7.811 4.524 -5.015 935 1HB LYS 113 2HB LYS 113 4.807 4.866 -5.202 936 2HB LYS 113 1HB LYS 113 5.965 6.164 -5.003 937 1HG LYS 113 2HG LYS 113 6.842 5.830 -7.188 938 2HG LYS 113 1HG LYS 113 5.920 4.336 -7.387 939 1HD LYS 113 2HD LYS 113 3.832 5.613 -7.250 940 2HD LYS 113 1HD LYS 113 4.753 7.103 -7.057 941 1HE LYS 113 2HE LYS 113 5.680 6.880 -9.266 942 2HE LYS 113 1HE LYS 113 4.948 5.287 -9.453 943 1HZ LYS 113 1HZ LYS 113 3.734 7.122 -10.579 944 2HZ LYS 113 2HZ LYS 113 3.374 7.780 -9.060 945 3HZ LYS 113 3HZ LYS 113 2.786 6.237 -9.487 946 H LEU 114 H LEU 114 4.840 3.273 -3.532 947 HA LEU 114 HA LEU 114 4.989 4.715 -1.148 948 1HB LEU 114 2HB LEU 114 3.462 2.418 -2.194 949 2HB LEU 114 1HB LEU 114 3.539 2.554 -0.457 950 HG LEU 114 HG LEU 114 2.585 4.819 -0.595 951 1HD1 LEU 114 1HD1 LEU 114 3.397 5.442 -2.800 952 2HD1 LEU 114 2HD1 LEU 114 1.643 5.603 -2.710 953 3HD1 LEU 114 3HD1 LEU 114 2.361 4.221 -3.538 954 1HD2 LEU 114 1HD2 LEU 114 0.986 2.694 -2.010 955 2HD2 LEU 114 2HD2 LEU 114 0.329 4.140 -1.245 956 3HD2 LEU 114 3HD2 LEU 114 1.119 2.905 -0.264 957 H VAL 115 H VAL 115 5.960 1.366 -1.866 958 HA VAL 115 HA VAL 115 6.639 0.742 0.792 959 HB VAL 115 HB VAL 115 7.677 -0.527 -1.749 960 1HG1 VAL 115 1HG1 VAL 115 8.161 -2.480 -0.330 961 2HG1 VAL 115 2HG1 VAL 115 7.696 -1.546 1.093 962 3HG1 VAL 115 3HG1 VAL 115 9.104 -1.067 0.144 963 1HG2 VAL 115 1HG2 VAL 115 5.239 -0.598 -1.567 964 2HG2 VAL 115 2HG2 VAL 115 5.377 -1.320 0.036 965 3HG2 VAL 115 3HG2 VAL 115 5.943 -2.205 -1.380 966 H ILE 116 H ILE 116 8.736 1.662 -1.940 967 HA ILE 116 HA ILE 116 11.125 1.645 -0.454 968 HB ILE 116 HB ILE 116 10.424 3.252 -2.919 969 1HG1 ILE 116 2HG1 ILE 116 11.907 0.631 -2.585 970 2HG1 ILE 116 1HG1 ILE 116 10.272 0.813 -3.208 971 1HG2 ILE 116 1HG2 ILE 116 13.143 2.678 -1.737 972 2HG2 ILE 116 2HG2 ILE 116 12.327 4.241 -1.731 973 3HG2 ILE 116 3HG2 ILE 116 12.828 3.513 -3.258 974 1HD1 ILE 116 1HD1 ILE 116 11.854 0.466 -5.008 975 2HD1 ILE 116 2HD1 ILE 116 12.778 1.874 -4.486 976 3HD1 ILE 116 3HD1 ILE 116 11.141 2.076 -5.112 977 H PHE 117 H PHE 117 8.559 3.984 -0.742 978 HA PHE 117 HA PHE 117 10.060 6.207 0.260 979 1HB PHE 117 2HB PHE 117 7.997 6.456 -1.125 980 2HB PHE 117 1HB PHE 117 7.053 5.838 0.223 981 HD1 PHE 117 1HD PHE 117 9.408 8.562 -0.688 982 HD2 PHE 117 2HD PHE 117 6.207 7.297 1.808 983 HE1 PHE 117 1HE PHE 117 9.211 10.846 0.204 984 HE2 PHE 117 2HE PHE 117 5.999 9.579 2.703 985 HZ PHE 117 HZ PHE 117 7.504 11.360 1.901 986 H ALA 118 H ALA 118 7.624 4.036 1.687 987 HA ALA 118 HA ALA 118 7.664 5.199 4.254 988 1HB ALA 118 1HB ALA 118 5.851 3.759 3.479 989 2HB ALA 118 2HB ALA 118 6.531 3.160 4.993 990 3HB ALA 118 3HB ALA 118 6.941 2.375 3.468 991 H VAL 119 H VAL 119 9.537 2.523 2.860 992 HA VAL 119 HA VAL 119 10.829 1.832 5.299 993 HB VAL 119 HB VAL 119 11.751 1.304 2.464 994 1HG1 VAL 119 1HG1 VAL 119 13.035 -0.533 3.444 995 2HG1 VAL 119 2HG1 VAL 119 12.529 -0.026 5.055 996 3HG1 VAL 119 3HG1 VAL 119 13.551 1.030 4.077 997 1HG2 VAL 119 1HG2 VAL 119 10.714 -0.897 2.754 998 2HG2 VAL 119 2HG2 VAL 119 9.529 0.403 2.877 999 3HG2 VAL 119 3HG2 VAL 119 10.110 -0.399 4.335 1000 H ASN 120 H ASN 120 11.509 4.132 2.730 1001 HA ASN 120 HA ASN 120 14.145 4.814 3.674 1002 1HB ASN 120 2HB ASN 120 13.092 5.153 1.297 1003 2HB ASN 120 1HB ASN 120 12.444 6.635 1.988 1004 1HD2 ASN 120 1HD2 ASN 120 15.231 4.990 0.855 1005 2HD2 ASN 120 2HD2 ASN 120 16.320 6.329 0.915 1006 H SER 121 H SER 121 10.907 5.719 4.434 1007 HA SER 121 HA SER 121 11.607 8.117 5.858 1008 1HB SER 121 2HB SER 121 9.083 6.468 5.614 1009 2HB SER 121 1HB SER 121 9.184 7.907 6.616 1010 HG SER 121 HG SER 121 8.523 8.728 4.742 1011 H LEU 122 H LEU 122 11.267 4.730 6.452 1012 HA LEU 122 HA LEU 122 11.331 4.934 9.320 1013 1HB LEU 122 2HB LEU 122 10.362 3.047 7.809 1014 2HB LEU 122 1HB LEU 122 12.019 2.472 7.759 1015 HG LEU 122 HG LEU 122 12.000 2.354 10.249 1016 1HD1 LEU 122 1HD1 LEU 122 9.069 2.958 9.882 1017 2HD1 LEU 122 2HD1 LEU 122 10.262 4.001 10.657 1018 3HD1 LEU 122 3HD1 LEU 122 9.835 2.453 11.390 1019 1HD2 LEU 122 1HD2 LEU 122 10.618 0.337 10.377 1020 2HD2 LEU 122 2HD2 LEU 122 11.586 0.363 8.903 1021 3HD2 LEU 122 3HD2 LEU 122 9.867 0.752 8.836 1022 H GLU 123 H GLU 123 13.532 4.365 6.697 1023 HA GLU 123 HA GLU 123 15.765 4.547 6.460 1024 1HB GLU 123 2HB GLU 123 15.683 5.797 9.205 1025 2HB GLU 123 1HB GLU 123 17.068 5.801 8.124 1026 1HG GLU 123 2HG GLU 123 15.766 7.079 6.484 1027 2HG GLU 123 1HG GLU 123 14.410 7.112 7.612 1028 H HIS 124 H HIS 124 14.394 2.341 8.252 1029 HA HIS 124 HA HIS 124 16.841 1.297 9.464 1030 1HB HIS 124 2HB HIS 124 13.938 0.594 9.750 1031 2HB HIS 124 1HB HIS 124 15.174 -0.576 10.201 1032 HD1 HIS 124 1HD HIS 124 15.420 -0.530 12.663 1033 HD2 HIS 124 2HD HIS 124 14.872 3.283 11.093 1034 HE1 HIS 124 1HE HIS 124 15.625 1.044 14.613 1035 HE2 HIS 124 2HE HIS 124 15.486 3.354 13.608 1036 H HIS 125 H HIS 125 18.101 0.465 7.984 1037 HA HIS 125 HA HIS 125 17.590 -1.931 6.641 1038 1HB HIS 125 2HB HIS 125 16.068 -0.713 5.195 1039 2HB HIS 125 1HB HIS 125 17.251 0.563 4.945 1040 HD1 HIS 125 1HD HIS 125 18.437 0.424 2.795 1041 HD2 HIS 125 2HD HIS 125 17.086 -3.304 4.045 1042 HE1 HIS 125 1HE HIS 125 19.053 -1.168 0.956 1043 HE2 HIS 125 2HE HIS 125 18.425 -3.442 1.831 1044 H HIS 126 H HIS 126 19.157 1.193 6.294 1045 HA HIS 126 HA HIS 126 21.767 0.323 6.851 1046 1HB HIS 126 2HB HIS 126 21.510 -0.730 4.588 1047 2HB HIS 126 1HB HIS 126 21.211 0.867 3.915 1048 HD1 HIS 126 1HD HIS 126 23.235 1.225 2.500 1049 HD2 HIS 126 2HD HIS 126 24.200 -0.139 6.312 1050 HE1 HIS 126 1HE HIS 126 25.740 1.338 2.649 1051 HE2 HIS 126 2HE HIS 126 26.308 0.296 4.870 1052 H HIS 127 H HIS 127 23.085 2.207 7.148 1053 HA HIS 127 HA HIS 127 21.610 4.628 7.295 1054 1HB HIS 127 2HB HIS 127 23.668 5.701 8.077 1055 2HB HIS 127 1HB HIS 127 23.360 4.199 8.931 1056 HD1 HIS 127 1HD HIS 127 25.049 2.235 8.528 1057 HD2 HIS 127 2HD HIS 127 26.047 5.817 6.648 1058 HE1 HIS 127 1HE HIS 127 27.457 1.999 7.829 1059 HE2 HIS 127 2HE HIS 127 27.989 4.118 6.572 1060 H HIS 128 H HIS 128 20.848 5.069 5.302 1061 HA HIS 128 HA HIS 128 22.240 6.833 3.663 1062 1HB HIS 128 2HB HIS 128 23.535 4.804 2.977 1063 2HB HIS 128 1HB HIS 128 22.034 4.060 2.438 1064 HD1 HIS 128 1HD HIS 128 21.349 4.526 0.068 1065 HD2 HIS 128 2HD HIS 128 24.241 7.179 1.447 1066 HE1 HIS 128 1HE HIS 128 22.007 5.903 -1.924 1067 HE2 HIS 128 2HE HIS 128 23.564 7.659 -1.007 1068 H HIS 129 H HIS 129 20.707 7.966 2.595 1069 HA HIS 129 HA HIS 129 18.025 6.891 2.411 1070 1HB HIS 129 2HB HIS 129 19.219 9.563 1.678 1071 2HB HIS 129 1HB HIS 129 17.569 9.130 1.247 1072 HD1 HIS 129 1HD HIS 129 18.484 11.437 3.269 1073 HD2 HIS 129 2HD HIS 129 16.988 7.689 4.275 1074 HE1 HIS 129 1HE HIS 129 17.493 11.693 5.565 1075 HE2 HIS 129 2HE HIS 129 16.855 9.355 6.248 Start of MODEL 2 1 1H MET 1 1HT MET 1 18.674 -10.855 10.968 2 2H MET 1 2HT MET 1 20.108 -10.125 10.449 3 3H MET 1 3HT MET 1 19.791 -11.739 10.047 4 HA MET 1 HA MET 1 19.449 -10.244 8.179 5 1HB MET 1 2HB MET 1 17.106 -11.729 9.336 6 2HB MET 1 1HB MET 1 16.975 -10.895 7.794 7 1HG MET 1 2HG MET 1 18.841 -12.235 6.933 8 2HG MET 1 1HG MET 1 18.912 -13.093 8.473 9 1HE MET 1 1HE MET 1 18.730 -15.363 6.974 10 2HE MET 1 2HE MET 1 18.578 -14.374 5.523 11 3HE MET 1 3HE MET 1 17.408 -15.655 5.843 12 H SER 2 H SER 2 18.730 -8.373 7.389 13 HA SER 2 HA SER 2 16.829 -6.817 9.005 14 1HB SER 2 2HB SER 2 18.099 -4.764 8.212 15 2HB SER 2 1HB SER 2 18.968 -5.782 9.360 16 HG SER 2 HG SER 2 19.300 -5.684 6.542 17 H ILE 3 H ILE 3 15.035 -7.137 7.804 18 HA ILE 3 HA ILE 3 15.208 -7.143 4.902 19 HB ILE 3 HB ILE 3 12.856 -7.790 4.929 20 1HG1 ILE 3 2HG1 ILE 3 13.097 -7.389 7.914 21 2HG1 ILE 3 1HG1 ILE 3 12.075 -6.479 6.816 22 1HG2 ILE 3 1HG2 ILE 3 14.527 -9.331 6.910 23 2HG2 ILE 3 2HG2 ILE 3 14.533 -9.532 5.157 24 3HG2 ILE 3 3HG2 ILE 3 13.092 -9.945 6.087 25 1HD1 ILE 3 1HD1 ILE 3 10.754 -8.488 6.384 26 2HD1 ILE 3 2HD1 ILE 3 10.772 -8.059 8.095 27 3HD1 ILE 3 3HD1 ILE 3 11.772 -9.387 7.509 28 H SER 4 H SER 4 13.408 -6.001 3.717 29 HA SER 4 HA SER 4 13.464 -3.205 4.524 30 1HB SER 4 2HB SER 4 12.607 -4.436 1.894 31 2HB SER 4 1HB SER 4 12.878 -2.719 2.207 32 HG SER 4 HG SER 4 15.076 -3.191 2.580 33 H THR 5 H THR 5 11.805 -4.846 5.968 34 HA THR 5 HA THR 5 9.909 -4.601 7.134 35 HB THR 5 HB THR 5 8.407 -2.780 6.844 36 HG1 THR 5 1HG THR 5 9.542 -2.549 4.246 37 1HG2 THR 5 1HG2 THR 5 9.900 -0.856 6.837 38 2HG2 THR 5 2HG2 THR 5 11.173 -1.830 6.103 39 3HG2 THR 5 3HG2 THR 5 10.615 -2.196 7.736 40 H SER 6 H SER 6 7.507 -4.852 6.959 41 HA SER 6 HA SER 6 6.845 -7.074 5.428 42 1HB SER 6 2HB SER 6 4.924 -4.990 6.494 43 2HB SER 6 1HB SER 6 4.552 -6.674 6.121 44 HG SER 6 HG SER 6 4.941 -6.780 8.230 45 H ALA 7 H ALA 7 6.893 -3.730 4.574 46 HA ALA 7 HA ALA 7 5.038 -3.723 2.471 47 1HB ALA 7 1HB ALA 7 5.960 -1.683 3.468 48 2HB ALA 7 2HB ALA 7 6.164 -1.703 1.717 49 3HB ALA 7 3HB ALA 7 7.536 -2.058 2.767 50 H GLU 8 H GLU 8 8.631 -4.143 2.310 51 HA GLU 8 HA GLU 8 8.369 -4.924 -0.454 52 1HB GLU 8 2HB GLU 8 10.746 -4.815 1.384 53 2HB GLU 8 1HB GLU 8 10.845 -5.539 -0.216 54 1HG GLU 8 2HG GLU 8 9.676 -3.179 -0.815 55 2HG GLU 8 1HG GLU 8 10.651 -2.713 0.575 56 H VAL 9 H VAL 9 8.585 -6.576 2.627 57 HA VAL 9 HA VAL 9 9.062 -9.173 1.708 58 HB VAL 9 HB VAL 9 7.319 -8.271 4.008 59 1HG1 VAL 9 1HG1 VAL 9 8.320 -11.042 3.344 60 2HG1 VAL 9 2HG1 VAL 9 6.640 -10.503 3.306 61 3HG1 VAL 9 3HG1 VAL 9 7.508 -10.578 4.840 62 1HG2 VAL 9 1HG2 VAL 9 10.137 -9.344 3.903 63 2HG2 VAL 9 2HG2 VAL 9 9.246 -8.935 5.370 64 3HG2 VAL 9 3HG2 VAL 9 9.672 -7.672 4.214 65 H TYR 10 H TYR 10 5.884 -7.564 2.163 66 HA TYR 10 HA TYR 10 4.372 -9.660 1.033 67 1HB TYR 10 2HB TYR 10 3.852 -6.775 1.607 68 2HB TYR 10 1HB TYR 10 2.735 -7.632 0.550 69 HD1 TYR 10 1HD TYR 10 1.545 -9.659 1.419 70 HD2 TYR 10 2HD TYR 10 3.782 -7.087 3.962 71 HE1 TYR 10 1HE TYR 10 0.375 -10.584 3.373 72 HE2 TYR 10 2HE TYR 10 2.623 -8.010 5.924 73 HH TYR 10 HH TYR 10 0.927 -10.831 5.896 74 H TYR 11 H TYR 11 5.951 -6.853 -0.379 75 HA TYR 11 HA TYR 11 4.920 -7.063 -2.974 76 1HB TYR 11 2HB TYR 11 6.176 -5.102 -2.243 77 2HB TYR 11 1HB TYR 11 7.632 -6.076 -2.064 78 HD1 TYR 11 2HD TYR 11 5.238 -4.716 -4.543 79 HD2 TYR 11 1HD TYR 11 9.031 -6.532 -3.913 80 HE1 TYR 11 2HE TYR 11 5.839 -4.260 -6.885 81 HE2 TYR 11 1HE TYR 11 9.641 -6.085 -6.249 82 HH TYR 11 HH TYR 11 8.462 -5.711 -8.415 83 H GLU 12 H GLU 12 7.732 -8.602 -1.455 84 HA GLU 12 HA GLU 12 8.675 -9.897 -3.775 85 1HB GLU 12 2HB GLU 12 10.086 -9.665 -1.799 86 2HB GLU 12 1HB GLU 12 8.993 -10.685 -0.871 87 1HG GLU 12 2HG GLU 12 9.567 -12.603 -2.153 88 2HG GLU 12 1HG GLU 12 10.455 -11.630 -3.323 89 H GLU 13 H GLU 13 6.388 -10.939 -1.258 90 HA GLU 13 HA GLU 13 5.927 -13.538 -2.221 91 1HB GLU 13 2HB GLU 13 3.887 -11.694 -0.961 92 2HB GLU 13 1HB GLU 13 3.787 -13.443 -1.060 93 1HG GLU 13 2HG GLU 13 5.785 -13.592 0.391 94 2HG GLU 13 1HG GLU 13 5.749 -11.834 0.557 95 H ALA 14 H ALA 14 4.467 -10.438 -3.090 96 HA ALA 14 HA ALA 14 2.569 -11.410 -4.917 97 1HB ALA 14 1HB ALA 14 2.526 -9.146 -5.818 98 2HB ALA 14 2HB ALA 14 4.025 -8.770 -4.967 99 3HB ALA 14 3HB ALA 14 2.559 -9.120 -4.054 100 H GLU 15 H GLU 15 5.929 -10.371 -5.354 101 HA GLU 15 HA GLU 15 6.086 -10.867 -8.125 102 1HB GLU 15 2HB GLU 15 8.276 -10.973 -6.040 103 2HB GLU 15 1HB GLU 15 8.534 -10.898 -7.773 104 1HG GLU 15 2HG GLU 15 7.239 -8.783 -6.074 105 2HG GLU 15 1HG GLU 15 8.860 -8.729 -6.763 106 H GLU 16 H GLU 16 6.489 -12.909 -5.310 107 HA GLU 16 HA GLU 16 7.499 -15.169 -6.645 108 1HB GLU 16 2HB GLU 16 6.251 -14.644 -3.996 109 2HB GLU 16 1HB GLU 16 6.556 -16.287 -4.497 110 1HG GLU 16 2HG GLU 16 8.653 -14.139 -4.376 111 2HG GLU 16 1HG GLU 16 8.342 -15.300 -3.087 112 H PHE 17 H PHE 17 4.242 -14.110 -5.825 113 HA PHE 17 HA PHE 17 3.005 -16.462 -6.900 114 1HB PHE 17 2HB PHE 17 1.892 -13.769 -6.124 115 2HB PHE 17 1HB PHE 17 0.892 -15.052 -6.799 116 HD1 PHE 17 1HD PHE 17 1.585 -17.447 -5.566 117 HD2 PHE 17 2HD PHE 17 1.634 -13.552 -3.853 118 HE1 PHE 17 1HE PHE 17 1.325 -18.434 -3.327 119 HE2 PHE 17 2HE PHE 17 1.370 -14.534 -1.610 120 HZ PHE 17 HZ PHE 17 1.215 -16.976 -1.346 121 H LEU 18 H LEU 18 3.946 -13.347 -8.177 122 HA LEU 18 HA LEU 18 2.714 -13.645 -10.719 123 1HB LEU 18 2HB LEU 18 3.602 -11.501 -9.852 124 2HB LEU 18 1HB LEU 18 5.229 -12.145 -9.970 125 HG LEU 18 HG LEU 18 4.935 -12.355 -12.422 126 1HD1 LEU 18 1HD1 LEU 18 3.070 -11.219 -13.504 127 2HD1 LEU 18 2HD1 LEU 18 2.353 -10.880 -11.929 128 3HD1 LEU 18 3HD1 LEU 18 2.509 -12.546 -12.486 129 1HD2 LEU 18 1HD2 LEU 18 4.507 -9.607 -11.261 130 2HD2 LEU 18 2HD2 LEU 18 5.073 -9.947 -12.897 131 3HD2 LEU 18 3HD2 LEU 18 6.052 -10.420 -11.508 132 H SER 19 H SER 19 5.725 -14.706 -9.298 133 HA SER 19 HA SER 19 6.870 -15.833 -11.638 134 1HB SER 19 2HB SER 19 8.109 -15.257 -9.531 135 2HB SER 19 1HB SER 19 7.333 -16.631 -8.748 136 HG SER 19 HG SER 19 8.331 -17.964 -10.378 137 H LYS 20 H LYS 20 4.543 -16.905 -9.281 138 HA LYS 20 HA LYS 20 4.468 -19.647 -10.016 139 1HB LYS 20 2HB LYS 20 3.496 -18.646 -7.913 140 2HB LYS 20 1HB LYS 20 2.209 -17.974 -8.903 141 1HG LYS 20 2HG LYS 20 1.281 -19.907 -8.017 142 2HG LYS 20 1HG LYS 20 1.780 -20.392 -9.640 143 1HD LYS 20 2HD LYS 20 2.423 -22.109 -8.080 144 2HD LYS 20 1HD LYS 20 3.878 -21.295 -8.660 145 1HE LYS 20 2HE LYS 20 3.923 -19.932 -6.623 146 2HE LYS 20 1HE LYS 20 2.471 -20.747 -6.044 147 1HZ LYS 20 1HZ LYS 20 5.135 -21.973 -6.514 148 2HZ LYS 20 2HZ LYS 20 3.740 -22.850 -6.114 149 3HZ LYS 20 3HZ LYS 20 4.374 -21.722 -5.019 150 H GLY 21 H GLY 21 2.524 -16.819 -10.915 151 1HA GLY 21 2HA GLY 21 2.085 -16.576 -13.344 152 2HA GLY 21 1HA GLY 21 1.667 -18.284 -13.336 153 H ASP 22 H ASP 22 0.699 -16.272 -10.669 154 HA ASP 22 HA ASP 22 -2.030 -16.187 -11.760 155 1HB ASP 22 2HB ASP 22 -1.888 -18.035 -10.143 156 2HB ASP 22 1HB ASP 22 -1.286 -16.920 -8.918 157 H LEU 23 H LEU 23 -3.071 -14.302 -11.524 158 HA LEU 23 HA LEU 23 -1.563 -12.100 -10.378 159 1HB LEU 23 2HB LEU 23 -4.126 -12.151 -11.972 160 2HB LEU 23 1HB LEU 23 -3.336 -10.688 -11.418 161 HG LEU 23 HG LEU 23 -2.163 -12.684 -13.357 162 1HD1 LEU 23 1HD1 LEU 23 -4.024 -11.400 -14.299 163 2HD1 LEU 23 2HD1 LEU 23 -2.484 -10.934 -15.019 164 3HD1 LEU 23 3HD1 LEU 23 -3.238 -9.900 -13.806 165 1HD2 LEU 23 1HD2 LEU 23 -0.405 -11.007 -13.663 166 2HD2 LEU 23 2HD2 LEU 23 -0.448 -11.606 -12.005 167 3HD2 LEU 23 3HD2 LEU 23 -1.123 -10.022 -12.389 168 H VAL 24 H VAL 24 -4.259 -14.085 -9.569 169 HA VAL 24 HA VAL 24 -5.714 -12.258 -7.980 170 HB VAL 24 HB VAL 24 -5.605 -15.267 -7.706 171 1HG1 VAL 24 1HG1 VAL 24 -7.658 -13.253 -6.796 172 2HG1 VAL 24 2HG1 VAL 24 -6.610 -14.228 -5.767 173 3HG1 VAL 24 3HG1 VAL 24 -7.864 -15.004 -6.736 174 1HG2 VAL 24 1HG2 VAL 24 -7.573 -15.299 -9.150 175 2HG2 VAL 24 2HG2 VAL 24 -6.189 -14.589 -9.981 176 3HG2 VAL 24 3HG2 VAL 24 -7.465 -13.550 -9.346 177 H GLN 25 H GLN 25 -3.422 -14.831 -7.078 178 HA GLN 25 HA GLN 25 -3.365 -14.162 -4.321 179 1HB GLN 25 2HB GLN 25 -1.299 -15.636 -5.973 180 2HB GLN 25 1HB GLN 25 -1.380 -15.616 -4.218 181 1HG GLN 25 2HG GLN 25 -3.650 -16.660 -4.404 182 2HG GLN 25 1HG GLN 25 -3.341 -16.851 -6.130 183 1HE2 GLN 25 1HE2 GLN 25 -2.485 -17.859 -2.931 184 2HE2 GLN 25 2HE2 GLN 25 -1.591 -19.270 -3.394 185 H ALA 26 H ALA 26 -1.508 -13.131 -7.096 186 HA ALA 26 HA ALA 26 0.559 -11.814 -5.695 187 1HB ALA 26 1HB ALA 26 -0.503 -11.270 -8.464 188 2HB ALA 26 2HB ALA 26 0.771 -12.415 -8.045 189 3HB ALA 26 3HB ALA 26 1.027 -10.685 -7.815 190 H CYS 27 H CYS 27 -2.493 -10.651 -7.093 191 HA CYS 27 HA CYS 27 -2.185 -7.933 -6.560 192 1HB CYS 27 2HB CYS 27 -3.944 -8.835 -8.012 193 2HB CYS 27 1HB CYS 27 -4.735 -9.559 -6.617 194 HG CYS 27 HG CYS 27 -6.357 -7.487 -7.022 195 H GLU 28 H GLU 28 -3.406 -10.515 -4.494 196 HA GLU 28 HA GLU 28 -4.400 -8.954 -2.397 197 1HB GLU 28 2HB GLU 28 -4.724 -11.423 -2.674 198 2HB GLU 28 1HB GLU 28 -3.058 -11.660 -2.171 199 1HG GLU 28 2HG GLU 28 -4.480 -12.085 -0.310 200 2HG GLU 28 1HG GLU 28 -3.614 -10.577 -0.011 201 H LYS 29 H LYS 29 -1.158 -10.196 -3.026 202 HA LYS 29 HA LYS 29 -0.066 -9.148 -0.601 203 1HB LYS 29 2HB LYS 29 0.981 -10.588 -2.965 204 2HB LYS 29 1HB LYS 29 2.129 -9.586 -2.088 205 1HG LYS 29 2HG LYS 29 2.140 -11.923 -1.338 206 2HG LYS 29 1HG LYS 29 1.705 -10.801 -0.049 207 1HD LYS 29 2HD LYS 29 -0.648 -11.358 -0.342 208 2HD LYS 29 1HD LYS 29 -0.243 -12.435 -1.678 209 1HE LYS 29 2HE LYS 29 -0.633 -13.665 0.409 210 2HE LYS 29 1HE LYS 29 1.016 -13.868 -0.179 211 1HZ LYS 29 1HZ LYS 29 1.820 -12.345 1.454 212 2HZ LYS 29 2HZ LYS 29 0.825 -13.468 2.254 213 3HZ LYS 29 3HZ LYS 29 0.247 -11.916 1.919 214 H TYR 30 H TYR 30 -0.225 -8.046 -3.961 215 HA TYR 30 HA TYR 30 1.418 -5.784 -3.713 216 1HB TYR 30 2HB TYR 30 -0.986 -6.333 -5.446 217 2HB TYR 30 1HB TYR 30 -0.134 -4.797 -5.511 218 HD1 TYR 30 1HD TYR 30 2.600 -5.256 -5.629 219 HD2 TYR 30 2HD TYR 30 -0.480 -7.758 -7.171 220 HE1 TYR 30 1HE TYR 30 4.184 -6.195 -7.262 221 HE2 TYR 30 2HE TYR 30 1.097 -8.707 -8.800 222 HH TYR 30 HH TYR 30 4.448 -8.282 -8.598 223 H TYR 31 H TYR 31 -2.054 -6.204 -3.105 224 HA TYR 31 HA TYR 31 -2.604 -3.542 -2.397 225 1HB TYR 31 2HB TYR 31 -4.474 -4.909 -2.858 226 2HB TYR 31 1HB TYR 31 -3.954 -6.152 -1.724 227 HD1 TYR 31 1HD TYR 31 -5.179 -2.638 -1.884 228 HD2 TYR 31 2HD TYR 31 -4.756 -6.163 0.465 229 HE1 TYR 31 1HE TYR 31 -6.565 -1.626 -0.121 230 HE2 TYR 31 2HE TYR 31 -6.137 -5.161 2.229 231 HH TYR 31 HH TYR 31 -6.736 -2.877 3.006 232 H LYS 32 H LYS 32 -1.747 -6.342 -0.380 233 HA LYS 32 HA LYS 32 -1.947 -4.911 2.054 234 1HB LYS 32 2HB LYS 32 -0.707 -7.542 1.311 235 2HB LYS 32 1HB LYS 32 -0.540 -6.887 2.936 236 1HG LYS 32 2HG LYS 32 -3.130 -7.506 1.524 237 2HG LYS 32 1HG LYS 32 -2.396 -8.443 2.829 238 1HD LYS 32 2HD LYS 32 -2.642 -6.568 4.351 239 2HD LYS 32 1HD LYS 32 -3.279 -5.563 3.051 240 1HE LYS 32 2HE LYS 32 -5.191 -7.077 2.832 241 2HE LYS 32 1HE LYS 32 -4.561 -8.056 4.157 242 1HZ LYS 32 1HZ LYS 32 -5.349 -5.195 4.367 243 2HZ LYS 32 2HZ LYS 32 -4.796 -6.173 5.631 244 3HZ LYS 32 3HZ LYS 32 -6.281 -6.510 4.899 245 H ALA 33 H ALA 33 0.727 -5.460 -0.172 246 HA ALA 33 HA ALA 33 2.811 -4.497 1.438 247 1HB ALA 33 1HB ALA 33 2.491 -4.183 -1.547 248 2HB ALA 33 2HB ALA 33 3.165 -5.595 -0.734 249 3HB ALA 33 3HB ALA 33 3.997 -4.043 -0.639 250 H ALA 34 H ALA 34 0.454 -2.836 -0.579 251 HA ALA 34 HA ALA 34 1.515 -0.223 -0.153 252 1HB ALA 34 1HB ALA 34 0.176 -0.721 -2.119 253 2HB ALA 34 2HB ALA 34 -0.591 0.548 -1.160 254 3HB ALA 34 3HB ALA 34 -1.210 -1.102 -1.098 255 H GLU 35 H GLU 35 -1.117 -2.118 1.305 256 HA GLU 35 HA GLU 35 -2.171 -0.104 2.924 257 1HB GLU 35 2HB GLU 35 -3.302 -2.250 2.440 258 2HB GLU 35 1HB GLU 35 -2.112 -3.092 3.426 259 1HG GLU 35 2HG GLU 35 -2.851 -1.706 5.352 260 2HG GLU 35 1HG GLU 35 -4.147 -1.088 4.334 261 H GLU 36 H GLU 36 0.371 -2.510 3.540 262 HA GLU 36 HA GLU 36 0.932 -1.899 6.197 263 1HB GLU 36 2HB GLU 36 2.800 -2.758 3.985 264 2HB GLU 36 1HB GLU 36 3.264 -2.672 5.677 265 1HG GLU 36 2HG GLU 36 1.114 -4.435 4.522 266 2HG GLU 36 1HG GLU 36 2.729 -4.945 5.007 267 H ALA 37 H ALA 37 2.245 -0.451 3.236 268 HA ALA 37 HA ALA 37 4.012 1.331 4.504 269 1HB ALA 37 1HB ALA 37 4.160 0.761 2.130 270 2HB ALA 37 2HB ALA 37 4.075 2.508 2.367 271 3HB ALA 37 3HB ALA 37 2.651 1.618 1.826 272 H ILE 38 H ILE 38 0.660 1.775 3.389 273 HA ILE 38 HA ILE 38 0.446 4.504 3.821 274 HB ILE 38 HB ILE 38 -1.672 2.365 4.019 275 1HG1 ILE 38 2HG1 ILE 38 -0.628 2.684 1.812 276 2HG1 ILE 38 1HG1 ILE 38 -2.323 3.168 1.807 277 1HG2 ILE 38 1HG2 ILE 38 -3.346 4.136 3.877 278 2HG2 ILE 38 2HG2 ILE 38 -2.075 5.355 3.969 279 3HG2 ILE 38 3HG2 ILE 38 -2.379 4.293 5.343 280 1HD1 ILE 38 1HD1 ILE 38 0.054 5.013 1.955 281 2HD1 ILE 38 2HD1 ILE 38 -1.636 5.515 1.982 282 3HD1 ILE 38 3HD1 ILE 38 -0.970 4.734 0.546 283 H LYS 39 H LYS 39 -0.312 1.880 6.133 284 HA LYS 39 HA LYS 39 -1.188 3.637 8.160 285 1HB LYS 39 2HB LYS 39 -0.976 1.726 9.693 286 2HB LYS 39 1HB LYS 39 -1.807 1.290 8.208 287 1HG LYS 39 2HG LYS 39 0.252 0.269 7.366 288 2HG LYS 39 1HG LYS 39 1.066 0.684 8.874 289 1HD LYS 39 2HD LYS 39 -0.538 -0.699 10.108 290 2HD LYS 39 1HD LYS 39 -1.337 -1.118 8.590 291 1HE LYS 39 2HE LYS 39 0.762 -2.124 7.789 292 2HE LYS 39 1HE LYS 39 1.519 -1.744 9.335 293 1HZ LYS 39 1HZ LYS 39 -0.833 -3.522 8.969 294 2HZ LYS 39 2HZ LYS 39 -0.050 -3.190 10.438 295 3HZ LYS 39 3HZ LYS 39 0.762 -4.043 9.218 296 H LEU 40 H LEU 40 1.995 2.198 7.514 297 HA LEU 40 HA LEU 40 3.376 3.198 9.687 298 1HB LEU 40 2HB LEU 40 4.056 2.295 6.968 299 2HB LEU 40 1HB LEU 40 5.256 3.305 7.742 300 HG LEU 40 HG LEU 40 5.164 1.719 9.682 301 1HD1 LEU 40 1HD1 LEU 40 3.040 0.671 9.263 302 2HD1 LEU 40 2HD1 LEU 40 4.327 -0.536 9.279 303 3HD1 LEU 40 3HD1 LEU 40 3.646 0.009 7.745 304 1HD2 LEU 40 1HD2 LEU 40 6.589 0.034 8.595 305 2HD2 LEU 40 2HD2 LEU 40 7.002 1.678 8.110 306 3HD2 LEU 40 3HD2 LEU 40 6.073 0.646 7.023 307 H LEU 41 H LEU 41 2.787 4.752 6.531 308 HA LEU 41 HA LEU 41 4.259 7.095 7.106 309 1HB LEU 41 2HB LEU 41 2.185 6.359 5.090 310 2HB LEU 41 1HB LEU 41 2.578 8.053 5.299 311 HG LEU 41 HG LEU 41 4.962 7.511 4.784 312 1HD1 LEU 41 1HD1 LEU 41 4.991 5.181 5.419 313 2HD1 LEU 41 2HD1 LEU 41 5.473 5.368 3.731 314 3HD1 LEU 41 3HD1 LEU 41 3.852 4.795 4.129 315 1HD2 LEU 41 1HD2 LEU 41 4.598 7.211 2.383 316 2HD2 LEU 41 2HD2 LEU 41 3.465 8.374 3.071 317 3HD2 LEU 41 3HD2 LEU 41 2.929 6.735 2.697 318 H VAL 42 H VAL 42 0.899 6.211 7.668 319 HA VAL 42 HA VAL 42 -0.061 8.732 8.462 320 HB VAL 42 HB VAL 42 -0.956 5.973 9.330 321 1HG1 VAL 42 1HG1 VAL 42 -1.682 7.666 10.954 322 2HG1 VAL 42 2HG1 VAL 42 -3.050 7.042 10.030 323 3HG1 VAL 42 3HG1 VAL 42 -2.375 8.625 9.646 324 1HG2 VAL 42 1HG2 VAL 42 -2.009 7.863 7.226 325 2HG2 VAL 42 2HG2 VAL 42 -2.763 6.340 7.699 326 3HG2 VAL 42 3HG2 VAL 42 -1.171 6.337 6.941 327 H ILE 43 H ILE 43 1.608 6.194 10.252 328 HA ILE 43 HA ILE 43 1.204 7.248 12.834 329 HB ILE 43 HB ILE 43 3.461 5.514 11.826 330 1HG1 ILE 43 2HG1 ILE 43 1.204 4.587 11.427 331 2HG1 ILE 43 1HG1 ILE 43 2.115 3.642 12.590 332 1HG2 ILE 43 1HG2 ILE 43 3.693 4.819 14.173 333 2HG2 ILE 43 2HG2 ILE 43 2.471 6.004 14.636 334 3HG2 ILE 43 3HG2 ILE 43 4.010 6.541 13.961 335 1HD1 ILE 43 1HD1 ILE 43 -0.055 5.624 13.223 336 2HD1 ILE 43 2HD1 ILE 43 0.872 4.708 14.411 337 3HD1 ILE 43 3HD1 ILE 43 -0.189 3.865 13.282 338 H GLU 44 H GLU 44 3.988 7.574 10.600 339 HA GLU 44 HA GLU 44 5.467 9.131 12.463 340 1HB GLU 44 2HB GLU 44 7.082 9.477 10.707 341 2HB GLU 44 1HB GLU 44 6.550 7.803 10.690 342 1HG GLU 44 2HG GLU 44 5.224 8.152 8.756 343 2HG GLU 44 1HG GLU 44 5.426 9.901 8.858 344 H ASN 45 H ASN 45 3.359 9.970 9.756 345 HA ASN 45 HA ASN 45 3.974 12.770 9.904 346 1HB ASN 45 2HB ASN 45 1.881 11.178 8.441 347 2HB ASN 45 1HB ASN 45 1.835 12.935 8.463 348 1HD2 ASN 45 1HD2 ASN 45 3.521 10.125 7.318 349 2HD2 ASN 45 2HD2 ASN 45 4.549 10.949 6.197 350 H ASN 46 H ASN 46 2.087 10.662 11.688 351 HA ASN 46 HA ASN 46 0.610 10.872 13.378 352 1HB ASN 46 2HB ASN 46 2.436 12.385 14.213 353 2HB ASN 46 1HB ASN 46 1.526 13.743 13.560 354 1HD2 ASN 46 1HD2 ASN 46 1.110 14.723 15.493 355 2HD2 ASN 46 2HD2 ASN 46 0.081 14.035 16.705 356 H LEU 47 H LEU 47 -1.012 10.659 11.622 357 HA LEU 47 HA LEU 47 -2.590 13.059 11.155 358 1HB LEU 47 2HB LEU 47 -3.028 10.208 10.264 359 2HB LEU 47 1HB LEU 47 -4.005 11.578 9.785 360 HG LEU 47 HG LEU 47 -1.092 11.174 9.113 361 1HD1 LEU 47 1HD1 LEU 47 -1.867 10.856 6.838 362 2HD1 LEU 47 2HD1 LEU 47 -3.539 11.066 7.358 363 3HD1 LEU 47 3HD1 LEU 47 -2.616 9.670 7.909 364 1HD2 LEU 47 1HD2 LEU 47 -1.627 13.536 9.379 365 2HD2 LEU 47 2HD2 LEU 47 -3.008 13.356 8.296 366 3HD2 LEU 47 3HD2 LEU 47 -1.370 13.140 7.678 367 H LYS 48 H LYS 48 -3.285 13.518 13.200 368 HA LYS 48 HA LYS 48 -4.197 11.702 15.110 369 1HB LYS 48 2HB LYS 48 -3.480 14.133 15.404 370 2HB LYS 48 1HB LYS 48 -5.096 14.575 14.884 371 1HG LYS 48 2HG LYS 48 -4.685 12.718 17.196 372 2HG LYS 48 1HG LYS 48 -4.570 14.465 17.400 373 1HD LYS 48 2HD LYS 48 -6.849 14.698 16.498 374 2HD LYS 48 1HD LYS 48 -6.956 12.943 16.351 375 1HE LYS 48 2HE LYS 48 -8.060 13.706 18.380 376 2HE LYS 48 1HE LYS 48 -6.647 12.727 18.771 377 1HZ LYS 48 1HZ LYS 48 -6.803 15.695 18.835 378 2HZ LYS 48 2HZ LYS 48 -5.401 14.795 19.133 379 3HZ LYS 48 3HZ LYS 48 -6.725 14.665 20.179 380 H GLU 49 H GLU 49 -5.930 13.518 12.634 381 HA GLU 49 HA GLU 49 -8.556 12.999 13.382 382 1HB GLU 49 2HB GLU 49 -7.798 14.550 11.581 383 2HB GLU 49 1HB GLU 49 -7.491 13.150 10.568 384 1HG GLU 49 2HG GLU 49 -9.909 12.552 10.822 385 2HG GLU 49 1HG GLU 49 -10.135 14.116 11.605 386 H ILE 50 H ILE 50 -6.241 10.939 11.764 387 HA ILE 50 HA ILE 50 -8.281 8.987 11.053 388 HB ILE 50 HB ILE 50 -5.281 8.901 10.643 389 1HG1 ILE 50 2HG1 ILE 50 -6.335 10.731 9.396 390 2HG1 ILE 50 1HG1 ILE 50 -5.785 9.465 8.303 391 1HG2 ILE 50 1HG2 ILE 50 -5.758 7.098 9.047 392 2HG2 ILE 50 2HG2 ILE 50 -7.461 7.155 9.507 393 3HG2 ILE 50 3HG2 ILE 50 -6.244 6.675 10.688 394 1HD1 ILE 50 1HD1 ILE 50 -8.616 9.897 9.220 395 2HD1 ILE 50 2HD1 ILE 50 -8.066 8.627 8.127 396 3HD1 ILE 50 3HD1 ILE 50 -7.952 10.319 7.642 397 H THR 51 H THR 51 -5.368 9.154 13.139 398 HA THR 51 HA THR 51 -5.636 6.436 13.943 399 HB THR 51 HB THR 51 -3.925 7.187 15.753 400 HG1 THR 51 1HG THR 51 -2.977 9.171 14.219 401 1HG2 THR 51 1HG2 THR 51 -3.277 7.298 12.807 402 2HG2 THR 51 2HG2 THR 51 -3.405 5.835 13.783 403 3HG2 THR 51 3HG2 THR 51 -2.124 7.003 14.109 404 H ASN 52 H ASN 52 -7.032 9.368 15.169 405 HA ASN 52 HA ASN 52 -7.734 8.129 17.700 406 1HB ASN 52 2HB ASN 52 -8.554 10.167 18.370 407 2HB ASN 52 1HB ASN 52 -7.472 10.726 17.102 408 1HD2 ASN 52 1HD2 ASN 52 -8.345 11.457 15.153 409 2HD2 ASN 52 2HD2 ASN 52 -10.020 11.887 15.000 410 H ASN 53 H ASN 53 -8.889 8.200 14.520 411 HA ASN 53 HA ASN 53 -11.652 7.616 15.235 412 1HB ASN 53 2HB ASN 53 -11.142 9.147 13.356 413 2HB ASN 53 1HB ASN 53 -10.338 7.827 12.516 414 1HD2 ASN 53 1HD2 ASN 53 -11.711 7.962 10.781 415 2HD2 ASN 53 2HD2 ASN 53 -13.366 7.458 10.855 416 H VAL 54 H VAL 54 -8.876 6.068 13.668 417 HA VAL 54 HA VAL 54 -10.169 3.609 13.108 418 HB VAL 54 HB VAL 54 -7.215 4.150 13.510 419 1HG1 VAL 54 1HG1 VAL 54 -6.842 2.124 12.203 420 2HG1 VAL 54 2HG1 VAL 54 -8.582 1.842 12.127 421 3HG1 VAL 54 3HG1 VAL 54 -7.743 1.769 13.676 422 1HG2 VAL 54 1HG2 VAL 54 -7.125 4.274 11.060 423 2HG2 VAL 54 2HG2 VAL 54 -8.154 5.532 11.749 424 3HG2 VAL 54 3HG2 VAL 54 -8.880 4.110 10.995 425 H LYS 55 H LYS 55 -8.994 4.984 16.001 426 HA LYS 55 HA LYS 55 -8.290 2.648 17.422 427 1HB LYS 55 2HB LYS 55 -8.055 5.282 17.931 428 2HB LYS 55 1HB LYS 55 -9.459 4.917 18.927 429 1HG LYS 55 2HG LYS 55 -7.477 4.725 20.261 430 2HG LYS 55 1HG LYS 55 -8.161 3.114 20.020 431 1HD LYS 55 2HD LYS 55 -6.558 2.790 18.140 432 2HD LYS 55 1HD LYS 55 -5.818 4.335 18.561 433 1HE LYS 55 2HE LYS 55 -5.323 3.450 20.810 434 2HE LYS 55 1HE LYS 55 -6.002 1.896 20.324 435 1HZ LYS 55 1HZ LYS 55 -3.583 3.223 19.239 436 2HZ LYS 55 2HZ LYS 55 -4.306 1.873 18.510 437 3HZ LYS 55 3HZ LYS 55 -3.671 1.752 20.081 438 H ASN 56 H ASN 56 -11.288 3.840 16.391 439 HA ASN 56 HA ASN 56 -12.948 2.672 18.421 440 1HB ASN 56 2HB ASN 56 -13.655 4.552 16.939 441 2HB ASN 56 1HB ASN 56 -13.643 3.446 15.578 442 1HD2 ASN 56 1HD2 ASN 56 -15.819 3.790 15.173 443 2HD2 ASN 56 2HD2 ASN 56 -17.065 3.126 16.179 444 H LYS 57 H LYS 57 -11.345 1.625 15.594 445 HA LYS 57 HA LYS 57 -12.789 -0.911 15.508 446 1HB LYS 57 2HB LYS 57 -11.073 0.620 13.574 447 2HB LYS 57 1HB LYS 57 -11.429 -1.071 13.336 448 1HG LYS 57 2HG LYS 57 -13.560 1.010 13.657 449 2HG LYS 57 1HG LYS 57 -12.887 0.546 12.094 450 1HD LYS 57 2HD LYS 57 -14.183 -1.366 14.032 451 2HD LYS 57 1HD LYS 57 -15.005 -0.628 12.656 452 1HE LYS 57 2HE LYS 57 -13.360 -1.660 11.147 453 2HE LYS 57 1HE LYS 57 -12.584 -2.424 12.533 454 1HZ LYS 57 1HZ LYS 57 -14.703 -3.566 12.983 455 2HZ LYS 57 2HZ LYS 57 -14.040 -3.982 11.482 456 3HZ LYS 57 3HZ LYS 57 -15.352 -2.908 11.561 457 H GLY 58 H GLY 58 -11.485 -2.877 15.248 458 1HA GLY 58 2HA GLY 58 -8.920 -2.719 16.664 459 2HA GLY 58 1HA GLY 58 -9.819 -4.189 16.299 460 H ARG 59 H ARG 59 -9.964 -2.424 13.601 461 HA ARG 59 HA ARG 59 -7.391 -3.175 12.473 462 1HB ARG 59 2HB ARG 59 -9.163 -5.080 12.267 463 2HB ARG 59 1HB ARG 59 -9.909 -4.039 11.067 464 1HG ARG 59 2HG ARG 59 -8.550 -5.600 9.912 465 2HG ARG 59 1HG ARG 59 -7.725 -4.040 9.838 466 1HD ARG 59 2HD ARG 59 -6.150 -4.685 11.470 467 2HD ARG 59 1HD ARG 59 -7.107 -6.081 11.956 468 HE ARG 59 HE ARG 59 -5.895 -5.952 9.267 469 1HH1 ARG 59 1HH1 ARG 59 -6.251 -7.503 12.390 470 2HH1 ARG 59 2HH1 ARG 59 -5.411 -8.942 11.927 471 1HH2 ARG 59 1HH2 ARG 59 -4.782 -7.860 8.639 472 2HH2 ARG 59 2HH2 ARG 59 -4.575 -9.155 9.790 473 H TRP 60 H TRP 60 -6.907 -1.940 10.618 474 HA TRP 60 HA TRP 60 -8.159 0.579 10.436 475 1HB TRP 60 2HB TRP 60 -6.226 -0.817 8.603 476 2HB TRP 60 1HB TRP 60 -6.780 0.826 8.328 477 HD1 TRP 60 HD TRP 60 -5.130 -1.083 11.303 478 HE1 TRP 60 1HE TRP 60 -3.393 0.490 12.373 479 HE3 TRP 60 3HE TRP 60 -5.817 3.017 8.331 480 HZ2 TRP 60 2HZ TRP 60 -2.435 3.129 11.995 481 HZ3 TRP 60 3HZ TRP 60 -4.454 5.022 8.747 482 HH2 TRP 60 HH TRP 60 -2.800 5.074 10.540 483 H LYS 61 H LYS 61 -10.041 1.016 9.597 484 HA LYS 61 HA LYS 61 -11.272 -0.874 7.783 485 1HB LYS 61 2HB LYS 61 -13.325 0.556 8.090 486 2HB LYS 61 1HB LYS 61 -12.719 -0.249 9.527 487 1HG LYS 61 2HG LYS 61 -11.790 1.803 10.356 488 2HG LYS 61 1HG LYS 61 -12.188 2.637 8.848 489 1HD LYS 61 2HD LYS 61 -14.549 2.346 9.257 490 2HD LYS 61 1HD LYS 61 -14.216 1.361 10.682 491 1HE LYS 61 2HE LYS 61 -13.358 3.222 11.875 492 2HE LYS 61 1HE LYS 61 -13.318 4.219 10.420 493 1HZ LYS 61 1HZ LYS 61 -15.206 4.715 11.913 494 2HZ LYS 61 2HZ LYS 61 -15.807 3.151 11.642 495 3HZ LYS 61 3HZ LYS 61 -15.690 4.255 10.352 496 H SER 62 H SER 62 -12.359 -0.258 5.892 497 HA SER 62 HA SER 62 -10.703 0.676 3.978 498 1HB SER 62 2HB SER 62 -13.703 0.865 3.865 499 2HB SER 62 1HB SER 62 -12.599 0.664 2.505 500 HG SER 62 HG SER 62 -11.946 -1.316 3.880 501 H GLU 63 H GLU 63 -13.186 2.653 5.598 502 HA GLU 63 HA GLU 63 -13.084 4.817 3.847 503 1HB GLU 63 2HB GLU 63 -14.150 6.102 5.669 504 2HB GLU 63 1HB GLU 63 -14.911 4.541 5.410 505 1HG GLU 63 2HG GLU 63 -13.899 3.633 7.351 506 2HG GLU 63 1HG GLU 63 -12.842 5.031 7.532 507 H ASN 64 H ASN 64 -11.108 4.170 6.709 508 HA ASN 64 HA ASN 64 -9.993 6.804 6.727 509 1HB ASN 64 2HB ASN 64 -9.439 4.273 8.247 510 2HB ASN 64 1HB ASN 64 -8.375 5.661 8.377 511 1HD2 ASN 64 1HD2 ASN 64 -11.514 4.391 9.102 512 2HD2 ASN 64 2HD2 ASN 64 -11.998 5.649 10.182 513 H LEU 65 H LEU 65 -9.291 3.825 5.176 514 HA LEU 65 HA LEU 65 -6.518 4.096 4.811 515 1HB LEU 65 2HB LEU 65 -8.553 2.709 3.063 516 2HB LEU 65 1HB LEU 65 -6.817 2.495 2.954 517 HG LEU 65 HG LEU 65 -8.515 1.756 5.341 518 1HD1 LEU 65 1HD1 LEU 65 -7.210 0.035 3.236 519 2HD1 LEU 65 2HD1 LEU 65 -8.943 0.291 3.449 520 3HD1 LEU 65 3HD1 LEU 65 -8.017 -0.557 4.688 521 1HD2 LEU 65 1HD2 LEU 65 -6.259 2.397 5.985 522 2HD2 LEU 65 2HD2 LEU 65 -5.589 1.302 4.776 523 3HD2 LEU 65 3HD2 LEU 65 -6.483 0.655 6.152 524 H PHE 66 H PHE 66 -9.218 4.965 2.595 525 HA PHE 66 HA PHE 66 -7.355 6.259 0.817 526 1HB PHE 66 2HB PHE 66 -9.359 7.019 -0.438 527 2HB PHE 66 1HB PHE 66 -9.291 5.281 -0.205 528 HD1 PHE 66 1HD PHE 66 -10.946 8.387 0.933 529 HD2 PHE 66 2HD PHE 66 -11.023 4.133 0.885 530 HE1 PHE 66 1HE PHE 66 -13.245 8.423 1.806 531 HE2 PHE 66 2HE PHE 66 -13.322 4.161 1.761 532 HZ PHE 66 HZ PHE 66 -14.437 6.308 2.221 533 H LYS 67 H LYS 67 -9.270 7.179 3.518 534 HA LYS 67 HA LYS 67 -9.437 9.956 3.087 535 1HB LYS 67 2HB LYS 67 -10.263 8.154 5.036 536 2HB LYS 67 1HB LYS 67 -9.138 9.204 5.884 537 1HG LYS 67 2HG LYS 67 -11.439 10.235 4.250 538 2HG LYS 67 1HG LYS 67 -11.553 9.877 5.973 539 1HD LYS 67 2HD LYS 67 -9.698 11.482 6.374 540 2HD LYS 67 1HD LYS 67 -9.736 11.894 4.656 541 1HE LYS 67 2HE LYS 67 -12.003 12.692 4.850 542 2HE LYS 67 1HE LYS 67 -12.086 12.153 6.527 543 1HZ LYS 67 1HZ LYS 67 -10.339 14.304 5.459 544 2HZ LYS 67 2HZ LYS 67 -10.314 13.740 7.058 545 3HZ LYS 67 3HZ LYS 67 -11.696 14.505 6.450 546 H ALA 68 H ALA 68 -7.057 7.973 4.813 547 HA ALA 68 HA ALA 68 -5.440 10.158 5.635 548 1HB ALA 68 1HB ALA 68 -3.813 8.471 6.283 549 2HB ALA 68 2HB ALA 68 -4.695 7.248 5.366 550 3HB ALA 68 3HB ALA 68 -5.433 7.993 6.784 551 H SER 69 H SER 69 -5.258 7.876 2.938 552 HA SER 69 HA SER 69 -2.774 8.644 1.913 553 1HB SER 69 2HB SER 69 -5.167 7.586 0.397 554 2HB SER 69 1HB SER 69 -3.489 7.543 -0.149 555 HG SER 69 HG SER 69 -4.772 6.024 1.825 556 H LYS 70 H LYS 70 -5.969 10.009 1.488 557 HA LYS 70 HA LYS 70 -5.440 11.777 -0.635 558 1HB LYS 70 2HB LYS 70 -7.685 11.213 0.305 559 2HB LYS 70 1HB LYS 70 -7.300 12.179 1.711 560 1HG LYS 70 2HG LYS 70 -7.099 14.164 0.294 561 2HG LYS 70 1HG LYS 70 -7.530 13.188 -1.112 562 1HD LYS 70 2HD LYS 70 -9.698 12.715 -0.177 563 2HD LYS 70 1HD LYS 70 -9.265 13.528 1.328 564 1HE LYS 70 2HE LYS 70 -9.041 15.642 0.113 565 2HE LYS 70 1HE LYS 70 -9.487 14.823 -1.384 566 1HZ LYS 70 1HZ LYS 70 -11.343 16.026 -0.295 567 2HZ LYS 70 2HZ LYS 70 -11.233 14.955 1.016 568 3HZ LYS 70 3HZ LYS 70 -11.649 14.371 -0.521 569 H LEU 71 H LEU 71 -5.455 12.274 2.849 570 HA LEU 71 HA LEU 71 -4.588 14.930 2.901 571 1HB LEU 71 2HB LEU 71 -4.144 12.780 4.976 572 2HB LEU 71 1HB LEU 71 -4.000 14.506 5.251 573 HG LEU 71 HG LEU 71 -6.539 13.046 4.521 574 1HD1 LEU 71 1HD1 LEU 71 -5.630 14.293 7.107 575 2HD1 LEU 71 2HD1 LEU 71 -5.856 12.572 6.790 576 3HD1 LEU 71 3HD1 LEU 71 -7.245 13.658 6.795 577 1HD2 LEU 71 1HD2 LEU 71 -6.490 15.303 3.597 578 2HD2 LEU 71 2HD2 LEU 71 -6.078 15.952 5.183 579 3HD2 LEU 71 3HD2 LEU 71 -7.646 15.186 4.923 580 H LEU 72 H LEU 72 -2.782 11.948 2.686 581 HA LEU 72 HA LEU 72 -0.243 12.989 3.357 582 1HB LEU 72 2HB LEU 72 -1.033 10.545 1.789 583 2HB LEU 72 1HB LEU 72 0.615 10.908 2.258 584 HG LEU 72 HG LEU 72 -1.674 10.430 4.168 585 1HD1 LEU 72 1HD1 LEU 72 0.667 8.679 3.433 586 2HD1 LEU 72 2HD1 LEU 72 -1.017 8.400 2.990 587 3HD1 LEU 72 3HD1 LEU 72 -0.527 8.336 4.684 588 1HD2 LEU 72 1HD2 LEU 72 0.116 10.368 5.875 589 2HD2 LEU 72 2HD2 LEU 72 -0.059 11.953 5.121 590 3HD2 LEU 72 3HD2 LEU 72 1.269 10.892 4.648 591 H ARG 73 H ARG 73 -2.101 13.696 0.694 592 HA ARG 73 HA ARG 73 -0.265 13.796 -1.415 593 1HB ARG 73 2HB ARG 73 -2.717 14.277 -1.610 594 2HB ARG 73 1HB ARG 73 -2.433 15.830 -0.836 595 1HG ARG 73 2HG ARG 73 -0.746 16.224 -2.741 596 2HG ARG 73 1HG ARG 73 -1.574 14.890 -3.542 597 1HD ARG 73 2HD ARG 73 -2.854 17.435 -2.557 598 2HD ARG 73 1HD ARG 73 -2.465 17.060 -4.232 599 HE ARG 73 HE ARG 73 -4.469 15.587 -2.635 600 1HH1 ARG 73 1HH1 ARG 73 -3.305 16.904 -5.651 601 2HH1 ARG 73 2HH1 ARG 73 -4.748 16.528 -6.536 602 1HH2 ARG 73 1HH2 ARG 73 -6.393 15.086 -3.792 603 2HH2 ARG 73 2HH2 ARG 73 -6.507 15.499 -5.476 604 H SER 74 H SER 74 -0.637 15.768 1.415 605 HA SER 74 HA SER 74 0.812 18.048 0.678 606 1HB SER 74 2HB SER 74 0.726 16.773 3.424 607 2HB SER 74 1HB SER 74 1.000 18.475 3.049 608 HG SER 74 HG SER 74 -1.374 16.989 3.008 609 H ASN 75 H ASN 75 1.829 14.865 1.691 610 HA ASN 75 HA ASN 75 4.608 15.616 1.981 611 1HB ASN 75 2HB ASN 75 3.648 13.812 3.367 612 2HB ASN 75 1HB ASN 75 3.311 12.879 1.913 613 1HD2 ASN 75 1HD2 ASN 75 5.735 13.997 4.110 614 2HD2 ASN 75 2HD2 ASN 75 7.016 12.986 3.530 615 H ASN 76 H ASN 76 2.908 13.273 -0.086 616 HA ASN 76 HA ASN 76 4.532 14.184 -2.352 617 1HB ASN 76 2HB ASN 76 5.487 12.055 -1.416 618 2HB ASN 76 1HB ASN 76 3.952 11.269 -1.762 619 1HD2 ASN 76 1HD2 ASN 76 6.703 10.814 -2.775 620 2HD2 ASN 76 2HD2 ASN 76 6.569 10.875 -4.497 621 H THR 77 H THR 77 3.361 14.551 -4.117 622 HA THR 77 HA THR 77 0.565 14.713 -3.852 623 HB THR 77 HB THR 77 1.929 16.282 -5.200 624 HG1 THR 77 1HG THR 77 0.410 16.462 -6.890 625 1HG2 THR 77 1HG2 THR 77 2.607 15.651 -7.478 626 2HG2 THR 77 2HG2 THR 77 2.111 13.989 -7.157 627 3HG2 THR 77 3HG2 THR 77 3.450 14.700 -6.255 628 H GLU 78 H GLU 78 2.611 12.187 -5.094 629 HA GLU 78 HA GLU 78 0.527 11.044 -6.722 630 1HB GLU 78 2HB GLU 78 3.292 10.090 -6.022 631 2HB GLU 78 1HB GLU 78 2.195 9.228 -7.080 632 1HG GLU 78 2HG GLU 78 2.119 11.441 -8.410 633 2HG GLU 78 1HG GLU 78 3.596 11.821 -7.524 634 H ILE 79 H ILE 79 1.345 10.874 -3.422 635 HA ILE 79 HA ILE 79 1.052 8.176 -2.828 636 HB ILE 79 HB ILE 79 0.289 10.551 -1.137 637 1HG1 ILE 79 2HG1 ILE 79 2.711 8.738 -1.147 638 2HG1 ILE 79 1HG1 ILE 79 2.664 10.396 -1.726 639 1HG2 ILE 79 1HG2 ILE 79 0.327 9.015 0.777 640 2HG2 ILE 79 2HG2 ILE 79 0.536 7.656 -0.328 641 3HG2 ILE 79 3HG2 ILE 79 -0.950 8.605 -0.368 642 1HD1 ILE 79 1HD1 ILE 79 3.693 10.316 0.440 643 2HD1 ILE 79 2HD1 ILE 79 2.296 9.474 1.111 644 3HD1 ILE 79 3HD1 ILE 79 2.140 11.144 0.565 645 HA PRO 80 HA PRO 80 -3.782 8.885 -2.210 646 1HB PRO 80 2HB PRO 80 -4.719 10.827 -3.969 647 2HB PRO 80 1HB PRO 80 -4.529 11.029 -2.227 648 1HG PRO 80 2HG PRO 80 -2.715 11.867 -4.443 649 2HG PRO 80 1HG PRO 80 -3.112 12.712 -2.934 650 1HD PRO 80 2HD PRO 80 -0.785 11.428 -3.239 651 2HD PRO 80 1HD PRO 80 -1.642 11.420 -1.683 652 H ILE 81 H ILE 81 -2.061 9.441 -5.218 653 HA ILE 81 HA ILE 81 -3.981 8.119 -6.886 654 HB ILE 81 HB ILE 81 -1.075 8.749 -7.444 655 1HG1 ILE 81 2HG1 ILE 81 -3.564 10.304 -8.185 656 2HG1 ILE 81 1HG1 ILE 81 -2.440 10.753 -6.908 657 1HG2 ILE 81 1HG2 ILE 81 -1.697 8.537 -9.802 658 2HG2 ILE 81 2HG2 ILE 81 -3.331 8.072 -9.327 659 3HG2 ILE 81 3HG2 ILE 81 -1.966 7.031 -8.922 660 1HD1 ILE 81 1HD1 ILE 81 -2.061 12.049 -8.926 661 2HD1 ILE 81 2HD1 ILE 81 -1.786 10.565 -9.839 662 3HD1 ILE 81 3HD1 ILE 81 -0.668 11.032 -8.557 663 H LEU 82 H LEU 82 -0.914 7.262 -5.353 664 HA LEU 82 HA LEU 82 -0.552 4.725 -6.467 665 1HB LEU 82 2HB LEU 82 0.181 5.505 -3.645 666 2HB LEU 82 1HB LEU 82 0.941 4.274 -4.634 667 HG LEU 82 HG LEU 82 1.081 7.259 -5.080 668 1HD1 LEU 82 1HD1 LEU 82 3.181 5.277 -4.216 669 2HD1 LEU 82 2HD1 LEU 82 2.418 6.497 -3.196 670 3HD1 LEU 82 3HD1 LEU 82 3.447 6.989 -4.543 671 1HD2 LEU 82 1HD2 LEU 82 2.659 6.745 -6.866 672 2HD2 LEU 82 2HD2 LEU 82 1.071 6.054 -7.203 673 3HD2 LEU 82 3HD2 LEU 82 2.382 5.021 -6.628 674 H TRP 83 H TRP 83 -2.155 5.667 -3.432 675 HA TRP 83 HA TRP 83 -2.988 3.029 -2.780 676 1HB TRP 83 2HB TRP 83 -2.821 4.808 -1.076 677 2HB TRP 83 1HB TRP 83 -4.162 5.659 -1.842 678 HD1 TRP 83 HD TRP 83 -6.478 5.133 -0.856 679 HE1 TRP 83 1HE TRP 83 -7.486 3.227 0.554 680 HE3 TRP 83 3HE TRP 83 -2.427 2.021 -0.663 681 HZ2 TRP 83 2HZ TRP 83 -6.665 0.735 1.608 682 HZ3 TRP 83 3HZ TRP 83 -2.622 -0.092 0.548 683 HH2 TRP 83 HH TRP 83 -4.696 -0.728 1.667 684 H LYS 84 H LYS 84 -4.507 5.712 -4.501 685 HA LYS 84 HA LYS 84 -7.115 4.845 -4.712 686 1HB LYS 84 2HB LYS 84 -6.405 7.000 -5.550 687 2HB LYS 84 1HB LYS 84 -5.396 6.240 -6.768 688 1HG LYS 84 2HG LYS 84 -7.485 5.276 -7.764 689 2HG LYS 84 1HG LYS 84 -8.398 6.296 -6.647 690 1HD LYS 84 2HD LYS 84 -7.432 8.286 -7.597 691 2HD LYS 84 1HD LYS 84 -6.349 7.329 -8.608 692 1HE LYS 84 2HE LYS 84 -8.389 6.353 -9.694 693 2HE LYS 84 1HE LYS 84 -9.347 7.540 -8.808 694 1HZ LYS 84 1HZ LYS 84 -7.138 8.212 -10.677 695 2HZ LYS 84 2HZ LYS 84 -8.178 9.308 -9.914 696 3HZ LYS 84 3HZ LYS 84 -8.784 8.243 -11.086 697 H SER 85 H SER 85 -4.451 4.111 -6.945 698 HA SER 85 HA SER 85 -5.924 2.411 -8.622 699 1HB SER 85 2HB SER 85 -2.944 2.404 -8.094 700 2HB SER 85 1HB SER 85 -3.753 1.731 -9.509 701 HG SER 85 HG SER 85 -2.812 4.081 -9.391 702 H ALA 86 H ALA 86 -3.865 1.695 -5.804 703 HA ALA 86 HA ALA 86 -4.038 -1.127 -6.027 704 1HB ALA 86 1HB ALA 86 -2.256 0.001 -4.781 705 2HB ALA 86 2HB ALA 86 -3.107 -1.173 -3.777 706 3HB ALA 86 3HB ALA 86 -3.438 0.549 -3.593 707 H TRP 87 H TRP 87 -5.840 1.250 -4.142 708 HA TRP 87 HA TRP 87 -7.436 -0.512 -2.667 709 1HB TRP 87 2HB TRP 87 -7.253 1.875 -2.145 710 2HB TRP 87 1HB TRP 87 -8.056 2.284 -3.654 711 HD1 TRP 87 HD TRP 87 -10.447 3.016 -3.217 712 HE1 TRP 87 1HE TRP 87 -12.338 2.330 -1.608 713 HE3 TRP 87 3HE TRP 87 -7.984 -0.608 -0.590 714 HZ2 TRP 87 2HZ TRP 87 -12.724 0.486 0.500 715 HZ3 TRP 87 3HZ TRP 87 -9.183 -1.789 1.204 716 HH2 TRP 87 HH TRP 87 -11.502 -1.252 1.737 717 H THR 88 H THR 88 -7.881 0.922 -5.851 718 HA THR 88 HA THR 88 -10.481 0.057 -6.373 719 HB THR 88 HB THR 88 -8.226 0.422 -8.358 720 HG1 THR 88 1HG THR 88 -8.517 2.323 -7.193 721 1HG2 THR 88 1HG2 THR 88 -11.223 0.547 -8.743 722 2HG2 THR 88 2HG2 THR 88 -10.167 -0.748 -9.308 723 3HG2 THR 88 3HG2 THR 88 -10.005 0.877 -9.976 724 H LEU 89 H LEU 89 -7.401 -1.631 -6.677 725 HA LEU 89 HA LEU 89 -8.404 -3.852 -8.135 726 1HB LEU 89 2HB LEU 89 -5.970 -3.621 -6.367 727 2HB LEU 89 1HB LEU 89 -6.318 -4.989 -7.403 728 HG LEU 89 HG LEU 89 -5.644 -2.175 -8.266 729 1HD1 LEU 89 1HD1 LEU 89 -3.726 -3.242 -9.301 730 2HD1 LEU 89 2HD1 LEU 89 -4.264 -4.814 -8.710 731 3HD1 LEU 89 3HD1 LEU 89 -3.765 -3.568 -7.568 732 1HD2 LEU 89 1HD2 LEU 89 -7.397 -3.051 -9.719 733 2HD2 LEU 89 2HD2 LEU 89 -6.472 -4.533 -9.962 734 3HD2 LEU 89 3HD2 LEU 89 -5.850 -2.997 -10.566 735 H HIS 90 H HIS 90 -8.306 -3.039 -4.750 736 HA HIS 90 HA HIS 90 -8.922 -5.727 -3.882 737 1HB HIS 90 2HB HIS 90 -7.555 -4.189 -2.494 738 2HB HIS 90 1HB HIS 90 -8.957 -3.145 -2.302 739 HD1 HIS 90 1HD HIS 90 -7.739 -6.612 -1.355 740 HD2 HIS 90 2HD HIS 90 -10.665 -3.855 -0.274 741 HE1 HIS 90 1HE HIS 90 -8.793 -7.518 0.744 742 HE2 HIS 90 2HE HIS 90 -10.405 -5.734 1.488 743 H VAL 91 H VAL 91 -10.649 -2.700 -4.394 744 HA VAL 91 HA VAL 91 -13.121 -3.601 -3.287 745 HB VAL 91 HB VAL 91 -12.596 -1.379 -5.271 746 1HG1 VAL 91 1HG1 VAL 91 -15.017 -1.914 -3.556 747 2HG1 VAL 91 2HG1 VAL 91 -14.924 -2.116 -5.307 748 3HG1 VAL 91 3HG1 VAL 91 -14.773 -0.509 -4.592 749 1HG2 VAL 91 1HG2 VAL 91 -12.924 -1.293 -2.278 750 2HG2 VAL 91 2HG2 VAL 91 -12.741 0.104 -3.338 751 3HG2 VAL 91 3HG2 VAL 91 -11.417 -1.050 -3.163 752 H GLU 92 H GLU 92 -12.043 -3.083 -6.636 753 HA GLU 92 HA GLU 92 -14.303 -4.643 -7.606 754 1HB GLU 92 2HB GLU 92 -12.179 -3.066 -9.070 755 2HB GLU 92 1HB GLU 92 -13.528 -3.891 -9.840 756 1HG GLU 92 2HG GLU 92 -13.739 -1.625 -7.865 757 2HG GLU 92 1HG GLU 92 -13.950 -1.505 -9.611 758 H GLY 93 H GLY 93 -12.401 -6.056 -6.130 759 1HA GLY 93 2HA GLY 93 -11.776 -8.123 -8.054 760 2HA GLY 93 1HA GLY 93 -10.370 -7.396 -7.284 761 H PHE 94 H PHE 94 -13.559 -8.051 -5.903 762 HA PHE 94 HA PHE 94 -12.210 -9.407 -3.692 763 1HB PHE 94 2HB PHE 94 -13.709 -7.498 -3.187 764 2HB PHE 94 1HB PHE 94 -15.055 -8.390 -3.884 765 HD1 PHE 94 2HD PHE 94 -12.612 -8.351 -1.114 766 HD2 PHE 94 1HD PHE 94 -16.231 -10.003 -2.630 767 HE1 PHE 94 2HE PHE 94 -13.065 -9.363 1.080 768 HE2 PHE 94 1HE PHE 94 -16.687 -11.021 -0.436 769 HZ PHE 94 HZ PHE 94 -15.101 -10.699 1.422 770 H HIS 95 H HIS 95 -14.940 -9.882 -5.937 771 HA HIS 95 HA HIS 95 -15.353 -12.560 -4.879 772 1HB HIS 95 2HB HIS 95 -16.779 -11.059 -7.078 773 2HB HIS 95 1HB HIS 95 -17.210 -12.680 -6.543 774 HD1 HIS 95 1HD HIS 95 -17.930 -12.818 -3.909 775 HD2 HIS 95 2HD HIS 95 -17.996 -9.067 -5.710 776 HE1 HIS 95 1HE HIS 95 -19.373 -11.373 -2.428 777 HE2 HIS 95 2HE HIS 95 -19.432 -9.114 -3.559 778 H GLU 96 H GLU 96 -15.544 -11.786 -8.311 779 HA GLU 96 HA GLU 96 -13.250 -13.538 -8.797 780 1HB GLU 96 2HB GLU 96 -15.487 -14.758 -9.062 781 2HB GLU 96 1HB GLU 96 -15.764 -13.727 -10.457 782 1HG GLU 96 2HG GLU 96 -13.346 -15.498 -10.191 783 2HG GLU 96 1HG GLU 96 -14.857 -16.037 -10.916 784 H LEU 97 H LEU 97 -12.278 -11.418 -9.047 785 HA LEU 97 HA LEU 97 -12.623 -10.505 -11.810 786 1HB LEU 97 2HB LEU 97 -11.701 -8.967 -9.384 787 2HB LEU 97 1HB LEU 97 -11.535 -8.378 -11.024 788 HG LEU 97 HG LEU 97 -13.418 -7.316 -10.080 789 1HD1 LEU 97 1HD1 LEU 97 -13.726 -7.963 -12.380 790 2HD1 LEU 97 2HD1 LEU 97 -15.260 -8.056 -11.517 791 3HD1 LEU 97 3HD1 LEU 97 -14.363 -9.530 -11.880 792 1HD2 LEU 97 1HD2 LEU 97 -15.332 -8.495 -9.126 793 2HD2 LEU 97 2HD2 LEU 97 -13.854 -8.786 -8.210 794 3HD2 LEU 97 3HD2 LEU 97 -14.471 -10.024 -9.306 795 H SER 98 H SER 98 -11.123 -11.598 -12.904 796 HA SER 98 HA SER 98 -8.593 -12.308 -11.753 797 1HB SER 98 2HB SER 98 -9.560 -12.499 -14.617 798 2HB SER 98 1HB SER 98 -8.126 -13.288 -13.959 799 HG SER 98 HG SER 98 -10.728 -13.705 -12.896 800 H LEU 99 H LEU 99 -9.835 -9.529 -13.103 801 HA LEU 99 HA LEU 99 -8.959 -7.504 -13.600 802 1HB LEU 99 2HB LEU 99 -6.508 -8.700 -12.313 803 2HB LEU 99 1HB LEU 99 -6.698 -7.000 -12.701 804 HG LEU 99 HG LEU 99 -8.384 -8.557 -10.737 805 1HD1 LEU 99 1HD1 LEU 99 -6.103 -8.170 -9.954 806 2HD1 LEU 99 2HD1 LEU 99 -7.266 -7.208 -9.044 807 3HD1 LEU 99 3HD1 LEU 99 -6.277 -6.448 -10.291 808 1HD2 LEU 99 1HD2 LEU 99 -8.391 -5.616 -11.415 809 2HD2 LEU 99 2HD2 LEU 99 -9.351 -6.395 -10.158 810 3HD2 LEU 99 3HD2 LEU 99 -9.644 -6.778 -11.854 811 H ASN 100 H ASN 100 -6.456 -6.675 -14.453 812 HA ASN 100 HA ASN 100 -5.890 -8.348 -16.810 813 1HB ASN 100 2HB ASN 100 -6.094 -5.336 -16.789 814 2HB ASN 100 1HB ASN 100 -5.585 -6.311 -18.156 815 1HD2 ASN 100 1HD2 ASN 100 -8.270 -5.337 -16.176 816 2HD2 ASN 100 2HD2 ASN 100 -9.514 -5.924 -17.227 817 H GLU 101 H GLU 101 -3.795 -8.209 -17.603 818 HA GLU 101 HA GLU 101 -1.793 -7.897 -15.584 819 1HB GLU 101 2HB GLU 101 -1.747 -9.606 -17.414 820 2HB GLU 101 1HB GLU 101 -1.441 -8.311 -18.558 821 1HG GLU 101 2HG GLU 101 0.621 -7.763 -17.249 822 2HG GLU 101 1HG GLU 101 0.342 -9.238 -16.325 823 H LYS 102 H LYS 102 -2.884 -6.108 -18.363 824 HA LYS 102 HA LYS 102 -0.818 -4.318 -18.760 825 1HB LYS 102 2HB LYS 102 -3.377 -4.701 -19.740 826 2HB LYS 102 1HB LYS 102 -3.454 -3.094 -19.029 827 1HG LYS 102 2HG LYS 102 -1.360 -3.964 -21.007 828 2HG LYS 102 1HG LYS 102 -2.856 -3.138 -21.443 829 1HD LYS 102 2HD LYS 102 -2.216 -1.214 -20.121 830 2HD LYS 102 1HD LYS 102 -0.770 -2.051 -19.554 831 1HE LYS 102 2HE LYS 102 0.049 -2.157 -21.875 832 2HE LYS 102 1HE LYS 102 -1.378 -1.262 -22.401 833 1HZ LYS 102 1HZ LYS 102 0.681 0.092 -22.054 834 2HZ LYS 102 2HZ LYS 102 0.532 -0.216 -20.391 835 3HZ LYS 102 3HZ LYS 102 -0.685 0.637 -21.208 836 H GLU 103 H GLU 103 -3.444 -4.158 -16.395 837 HA GLU 103 HA GLU 103 -2.742 -1.520 -15.524 838 1HB GLU 103 2HB GLU 103 -4.662 -3.563 -14.400 839 2HB GLU 103 1HB GLU 103 -4.504 -1.913 -13.829 840 1HG GLU 103 2HG GLU 103 -5.153 -1.086 -16.037 841 2HG GLU 103 1HG GLU 103 -5.334 -2.747 -16.594 842 H VAL 104 H VAL 104 -2.112 -4.810 -14.488 843 HA VAL 104 HA VAL 104 -1.113 -4.239 -11.913 844 HB VAL 104 HB VAL 104 -0.358 -6.507 -13.770 845 1HG1 VAL 104 1HG1 VAL 104 1.277 -6.210 -11.969 846 2HG1 VAL 104 2HG1 VAL 104 0.348 -7.693 -11.757 847 3HG1 VAL 104 3HG1 VAL 104 -0.023 -6.274 -10.778 848 1HG2 VAL 104 1HG2 VAL 104 -2.429 -6.366 -11.583 849 2HG2 VAL 104 2HG2 VAL 104 -2.004 -7.804 -12.512 850 3HG2 VAL 104 3HG2 VAL 104 -2.749 -6.423 -13.317 851 H LYS 105 H LYS 105 0.346 -4.164 -15.097 852 HA LYS 105 HA LYS 105 3.043 -3.908 -14.430 853 1HB LYS 105 2HB LYS 105 1.561 -2.551 -16.688 854 2HB LYS 105 1HB LYS 105 3.299 -2.800 -16.604 855 1HG LYS 105 2HG LYS 105 3.029 -5.172 -16.771 856 2HG LYS 105 1HG LYS 105 1.273 -5.022 -16.656 857 1HD LYS 105 2HD LYS 105 1.264 -3.755 -18.761 858 2HD LYS 105 1HD LYS 105 3.012 -3.962 -18.882 859 1HE LYS 105 2HE LYS 105 1.007 -6.210 -18.783 860 2HE LYS 105 1HE LYS 105 1.737 -5.578 -20.257 861 1HZ LYS 105 1HZ LYS 105 3.871 -6.298 -19.547 862 2HZ LYS 105 2HZ LYS 105 2.810 -7.610 -19.347 863 3HZ LYS 105 3HZ LYS 105 3.306 -6.707 -18.002 864 H LYS 106 H LYS 106 0.487 -1.493 -14.598 865 HA LYS 106 HA LYS 106 2.214 0.725 -14.068 866 1HB LYS 106 2HB LYS 106 -0.525 0.317 -14.801 867 2HB LYS 106 1HB LYS 106 -0.463 1.379 -13.400 868 1HG LYS 106 2HG LYS 106 1.501 2.100 -15.411 869 2HG LYS 106 1HG LYS 106 -0.146 2.119 -16.039 870 1HD LYS 106 2HD LYS 106 0.493 4.302 -15.134 871 2HD LYS 106 1HD LYS 106 -0.834 3.591 -14.216 872 1HE LYS 106 2HE LYS 106 0.828 2.788 -12.553 873 2HE LYS 106 1HE LYS 106 2.078 3.657 -13.441 874 1HZ LYS 106 1HZ LYS 106 1.050 4.811 -11.456 875 2HZ LYS 106 2HZ LYS 106 -0.342 5.011 -12.408 876 3HZ LYS 106 3HZ LYS 106 1.125 5.703 -12.897 877 H LEU 107 H LEU 107 -0.095 -1.180 -12.189 878 HA LEU 107 HA LEU 107 -0.001 0.249 -9.801 879 1HB LEU 107 2HB LEU 107 -0.880 -2.399 -10.666 880 2HB LEU 107 1HB LEU 107 -0.344 -2.365 -8.997 881 HG LEU 107 HG LEU 107 -2.748 -2.019 -9.116 882 1HD1 LEU 107 1HD1 LEU 107 -1.263 0.500 -8.383 883 2HD1 LEU 107 2HD1 LEU 107 -1.511 -0.905 -7.344 884 3HD1 LEU 107 3HD1 LEU 107 -2.890 0.067 -7.859 885 1HD2 LEU 107 1HD2 LEU 107 -3.706 -0.060 -10.197 886 2HD2 LEU 107 2HD2 LEU 107 -2.859 -1.069 -11.372 887 3HD2 LEU 107 3HD2 LEU 107 -2.112 0.414 -10.782 888 H LYS 108 H LYS 108 2.202 -2.198 -11.037 889 HA LYS 108 HA LYS 108 3.541 -2.834 -8.680 890 1HB LYS 108 2HB LYS 108 3.904 -4.117 -10.689 891 2HB LYS 108 1HB LYS 108 4.579 -2.717 -11.511 892 1HG LYS 108 2HG LYS 108 6.553 -2.788 -10.286 893 2HG LYS 108 1HG LYS 108 5.844 -3.789 -9.018 894 1HD LYS 108 2HD LYS 108 6.408 -4.670 -11.850 895 2HD LYS 108 1HD LYS 108 7.386 -5.068 -10.436 896 1HE LYS 108 2HE LYS 108 5.234 -6.042 -9.454 897 2HE LYS 108 1HE LYS 108 4.592 -5.948 -11.092 898 1HZ LYS 108 1HZ LYS 108 6.967 -7.489 -10.201 899 2HZ LYS 108 2HZ LYS 108 6.478 -7.333 -11.819 900 3HZ LYS 108 3HZ LYS 108 5.474 -8.113 -10.697 901 H GLU 109 H GLU 109 4.144 -0.181 -10.955 902 HA GLU 109 HA GLU 109 6.447 0.777 -9.569 903 1HB GLU 109 2HB GLU 109 6.169 1.335 -11.907 904 2HB GLU 109 1HB GLU 109 4.609 2.080 -11.596 905 1HG GLU 109 2HG GLU 109 5.851 3.743 -10.144 906 2HG GLU 109 1HG GLU 109 7.332 3.086 -10.836 907 H ASP 110 H ASP 110 3.022 1.655 -9.605 908 HA ASP 110 HA ASP 110 3.156 3.927 -7.975 909 1HB ASP 110 2HB ASP 110 0.928 1.908 -8.330 910 2HB ASP 110 1HB ASP 110 0.743 3.418 -7.455 911 H VAL 111 H VAL 111 2.350 0.583 -7.083 912 HA VAL 111 HA VAL 111 2.154 1.067 -4.327 913 HB VAL 111 HB VAL 111 2.854 -1.507 -5.758 914 1HG1 VAL 111 1HG1 VAL 111 3.523 -1.602 -3.403 915 2HG1 VAL 111 2HG1 VAL 111 2.142 -2.651 -3.720 916 3HG1 VAL 111 3HG1 VAL 111 1.903 -1.098 -2.921 917 1HG2 VAL 111 1HG2 VAL 111 0.488 -2.043 -5.451 918 2HG2 VAL 111 2HG2 VAL 111 0.699 -0.580 -6.414 919 3HG2 VAL 111 3HG2 VAL 111 0.225 -0.459 -4.719 920 H ARG 112 H ARG 112 4.957 0.200 -6.347 921 HA ARG 112 HA ARG 112 6.616 -0.331 -4.097 922 1HB ARG 112 2HB ARG 112 7.027 -1.081 -6.549 923 2HB ARG 112 1HB ARG 112 7.760 0.509 -6.741 924 1HG ARG 112 2HG ARG 112 9.466 0.081 -5.260 925 2HG ARG 112 1HG ARG 112 8.572 -1.187 -4.430 926 1HD ARG 112 2HD ARG 112 8.800 -2.476 -6.666 927 2HD ARG 112 1HD ARG 112 10.087 -1.314 -7.007 928 HE ARG 112 HE ARG 112 10.455 -2.381 -4.428 929 1HH1 ARG 112 1HH1 ARG 112 10.757 -3.339 -7.796 930 2HH1 ARG 112 2HH1 ARG 112 11.932 -4.577 -7.450 931 1HH2 ARG 112 1HH2 ARG 112 11.953 -4.000 -3.980 932 2HH2 ARG 112 2HH2 ARG 112 12.577 -4.984 -5.278 933 H LYS 113 H LYS 113 5.934 2.579 -5.974 934 HA LYS 113 HA LYS 113 7.991 4.151 -4.848 935 1HB LYS 113 2HB LYS 113 5.375 4.807 -6.163 936 2HB LYS 113 1HB LYS 113 6.367 6.071 -5.458 937 1HG LYS 113 2HG LYS 113 8.258 5.228 -6.895 938 2HG LYS 113 1HG LYS 113 7.064 4.224 -7.718 939 1HD LYS 113 2HD LYS 113 6.920 7.226 -7.474 940 2HD LYS 113 1HD LYS 113 7.534 6.362 -8.882 941 1HE LYS 113 2HE LYS 113 5.322 5.252 -9.092 942 2HE LYS 113 1HE LYS 113 4.733 6.266 -7.774 943 1HZ LYS 113 1HZ LYS 113 5.158 8.221 -9.080 944 2HZ LYS 113 2HZ LYS 113 4.194 7.154 -9.985 945 3HZ LYS 113 3HZ LYS 113 5.850 7.293 -10.324 946 H LEU 114 H LEU 114 4.819 3.239 -3.729 947 HA LEU 114 HA LEU 114 4.739 5.030 -1.522 948 1HB LEU 114 2HB LEU 114 2.720 4.111 -2.514 949 2HB LEU 114 1HB LEU 114 3.276 2.483 -2.195 950 HG LEU 114 HG LEU 114 3.145 2.917 0.198 951 1HD1 LEU 114 1HD1 LEU 114 3.447 5.337 0.169 952 2HD1 LEU 114 2HD1 LEU 114 1.974 4.890 1.031 953 3HD1 LEU 114 3HD1 LEU 114 1.877 5.525 -0.612 954 1HD2 LEU 114 1HD2 LEU 114 1.294 1.852 -0.971 955 2HD2 LEU 114 2HD2 LEU 114 0.590 3.433 -1.308 956 3HD2 LEU 114 3HD2 LEU 114 0.707 2.858 0.355 957 H VAL 115 H VAL 115 5.568 1.649 -2.052 958 HA VAL 115 HA VAL 115 6.191 0.928 0.569 959 HB VAL 115 HB VAL 115 7.224 -0.107 -2.070 960 1HG1 VAL 115 1HG1 VAL 115 8.088 -2.053 -0.859 961 2HG1 VAL 115 2HG1 VAL 115 7.680 -1.280 0.670 962 3HG1 VAL 115 3HG1 VAL 115 8.910 -0.571 -0.373 963 1HG2 VAL 115 1HG2 VAL 115 4.860 -0.485 -1.657 964 2HG2 VAL 115 2HG2 VAL 115 5.228 -1.202 -0.088 965 3HG2 VAL 115 3HG2 VAL 115 5.747 -2.006 -1.569 966 H ILE 116 H ILE 116 8.257 2.327 -1.956 967 HA ILE 116 HA ILE 116 10.707 2.172 -0.666 968 HB ILE 116 HB ILE 116 9.695 4.332 -2.524 969 1HG1 ILE 116 2HG1 ILE 116 11.513 1.962 -3.016 970 2HG1 ILE 116 1HG1 ILE 116 9.801 2.016 -3.428 971 1HG2 ILE 116 1HG2 ILE 116 12.535 3.773 -1.638 972 2HG2 ILE 116 2HG2 ILE 116 11.573 5.183 -1.193 973 3HG2 ILE 116 3HG2 ILE 116 12.047 4.935 -2.873 974 1HD1 ILE 116 1HD1 ILE 116 10.233 3.856 -4.971 975 2HD1 ILE 116 2HD1 ILE 116 11.195 2.432 -5.372 976 3HD1 ILE 116 3HD1 ILE 116 11.945 3.803 -4.554 977 H PHE 117 H PHE 117 8.066 4.442 -0.151 978 HA PHE 117 HA PHE 117 9.699 6.279 1.343 979 1HB PHE 117 2HB PHE 117 7.559 6.863 0.060 980 2HB PHE 117 1HB PHE 117 6.686 6.171 1.424 981 HD1 PHE 117 1HD PHE 117 8.873 8.902 0.328 982 HD2 PHE 117 2HD PHE 117 6.582 7.306 3.540 983 HE1 PHE 117 1HE PHE 117 9.077 11.037 1.531 984 HE2 PHE 117 2HE PHE 117 6.776 9.442 4.746 985 HZ PHE 117 HZ PHE 117 8.026 11.310 3.741 986 H ALA 118 H ALA 118 7.366 3.741 2.107 987 HA ALA 118 HA ALA 118 7.316 4.077 4.892 988 1HB ALA 118 1HB ALA 118 6.981 1.545 3.281 989 2HB ALA 118 2HB ALA 118 5.706 2.676 3.733 990 3HB ALA 118 3HB ALA 118 6.538 1.745 4.978 991 H VAL 119 H VAL 119 9.388 2.047 2.833 992 HA VAL 119 HA VAL 119 10.952 0.978 4.940 993 HB VAL 119 HB VAL 119 11.780 1.386 2.059 994 1HG1 VAL 119 1HG1 VAL 119 13.657 0.881 3.512 995 2HG1 VAL 119 2HG1 VAL 119 13.294 -0.501 2.476 996 3HG1 VAL 119 3HG1 VAL 119 12.798 -0.510 4.169 997 1HG2 VAL 119 1HG2 VAL 119 10.423 -0.984 3.335 998 2HG2 VAL 119 2HG2 VAL 119 10.987 -0.885 1.666 999 3HG2 VAL 119 3HG2 VAL 119 9.672 0.153 2.219 1000 H ASN 120 H ASN 120 11.187 3.860 2.966 1001 HA ASN 120 HA ASN 120 13.790 4.670 3.656 1002 1HB ASN 120 2HB ASN 120 12.365 5.561 1.768 1003 2HB ASN 120 1HB ASN 120 11.468 6.481 2.971 1004 1HD2 ASN 120 1HD2 ASN 120 14.458 6.133 1.268 1005 2HD2 ASN 120 2HD2 ASN 120 15.122 7.660 1.707 1006 H SER 121 H SER 121 10.781 4.843 5.343 1007 HA SER 121 HA SER 121 11.427 6.919 7.158 1008 1HB SER 121 2HB SER 121 9.119 5.930 6.649 1009 2HB SER 121 1HB SER 121 9.567 4.607 7.725 1010 HG SER 121 HG SER 121 8.545 6.942 8.375 1011 H LEU 122 H LEU 122 12.025 3.458 7.096 1012 HA LEU 122 HA LEU 122 13.109 3.470 9.790 1013 1HB LEU 122 2HB LEU 122 12.755 1.304 7.738 1014 2HB LEU 122 1HB LEU 122 13.676 1.045 9.206 1015 HG LEU 122 HG LEU 122 11.587 1.722 10.482 1016 1HD1 LEU 122 1HD1 LEU 122 10.306 1.270 7.792 1017 2HD1 LEU 122 2HD1 LEU 122 10.390 2.804 8.660 1018 3HD1 LEU 122 3HD1 LEU 122 9.456 1.463 9.327 1019 1HD2 LEU 122 1HD2 LEU 122 11.479 -0.762 8.784 1020 2HD2 LEU 122 2HD2 LEU 122 10.602 -0.490 10.291 1021 3HD2 LEU 122 3HD2 LEU 122 12.363 -0.580 10.299 1022 H GLU 123 H GLU 123 14.252 2.915 6.503 1023 HA GLU 123 HA GLU 123 17.032 3.081 7.354 1024 1HB GLU 123 2HB GLU 123 15.792 2.801 4.610 1025 2HB GLU 123 1HB GLU 123 17.520 2.806 4.927 1026 1HG GLU 123 2HG GLU 123 17.131 0.799 6.403 1027 2HG GLU 123 1HG GLU 123 15.493 0.748 5.749 1028 H HIS 124 H HIS 124 15.980 5.318 8.144 1029 HA HIS 124 HA HIS 124 15.551 7.278 6.099 1030 1HB HIS 124 2HB HIS 124 14.494 6.990 8.516 1031 2HB HIS 124 1HB HIS 124 15.830 8.041 8.968 1032 HD1 HIS 124 1HD HIS 124 14.275 10.020 9.531 1033 HD2 HIS 124 2HD HIS 124 13.946 8.666 5.611 1034 HE1 HIS 124 1HE HIS 124 12.897 11.749 8.325 1035 HE2 HIS 124 2HE HIS 124 12.521 10.779 6.026 1036 H HIS 125 H HIS 125 18.351 6.058 7.212 1037 HA HIS 125 HA HIS 125 19.866 8.466 7.566 1038 1HB HIS 125 2HB HIS 125 20.542 6.250 8.519 1039 2HB HIS 125 1HB HIS 125 20.891 5.701 6.883 1040 HD1 HIS 125 1HD HIS 125 23.281 5.902 6.264 1041 HD2 HIS 125 2HD HIS 125 22.169 8.711 9.123 1042 HE1 HIS 125 1HE HIS 125 25.381 7.167 6.829 1043 HE2 HIS 125 2HE HIS 125 24.721 8.724 8.698 1044 H HIS 126 H HIS 126 19.034 6.378 4.871 1045 HA HIS 126 HA HIS 126 20.438 8.272 3.115 1046 1HB HIS 126 2HB HIS 126 20.517 6.573 1.379 1047 2HB HIS 126 1HB HIS 126 21.266 5.966 2.844 1048 HD1 HIS 126 1HD HIS 126 20.049 4.015 4.082 1049 HD2 HIS 126 2HD HIS 126 18.288 5.154 0.484 1050 HE1 HIS 126 1HE HIS 126 18.510 2.134 3.451 1051 HE2 HIS 126 2HE HIS 126 17.417 2.849 1.300 1052 H HIS 127 H HIS 127 19.228 9.635 2.038 1053 HA HIS 127 HA HIS 127 16.444 8.917 1.478 1054 1HB HIS 127 2HB HIS 127 15.662 11.129 2.241 1055 2HB HIS 127 1HB HIS 127 16.370 10.195 3.551 1056 HD1 HIS 127 1HD HIS 127 16.511 13.434 1.914 1057 HD2 HIS 127 2HD HIS 127 19.071 11.126 4.248 1058 HE1 HIS 127 1HE HIS 127 18.279 15.018 2.757 1059 HE2 HIS 127 2HE HIS 127 19.691 13.643 4.332 1060 H HIS 128 H HIS 128 16.059 9.140 -0.571 1061 HA HIS 128 HA HIS 128 15.930 9.932 -2.682 1062 1HB HIS 128 2HB HIS 128 15.768 12.182 -1.425 1063 2HB HIS 128 1HB HIS 128 17.441 12.415 -1.919 1064 HD1 HIS 128 1HD HIS 128 13.992 11.937 -3.396 1065 HD2 HIS 128 2HD HIS 128 17.762 13.307 -4.511 1066 HE1 HIS 128 1HE HIS 128 13.697 12.974 -5.669 1067 HE2 HIS 128 2HE HIS 128 15.924 14.012 -6.199 1068 H HIS 129 H HIS 129 18.999 10.148 -1.057 1069 HA HIS 129 HA HIS 129 20.275 9.034 -3.441 1070 1HB HIS 129 2HB HIS 129 22.281 10.387 -3.092 1071 2HB HIS 129 1HB HIS 129 20.888 11.422 -3.356 1072 HD1 HIS 129 1HD HIS 129 19.889 12.569 -1.122 1073 HD2 HIS 129 2HD HIS 129 23.697 10.926 -0.820 1074 HE1 HIS 129 1HE HIS 129 20.888 13.561 0.956 1075 HE2 HIS 129 2HE HIS 129 23.135 12.449 1.200 Start of MODEL 3 1 1H MET 1 1HT MET 1 12.373 -4.491 16.502 2 2H MET 1 2HT MET 1 12.356 -2.800 16.601 3 3H MET 1 3HT MET 1 13.539 -3.684 17.435 4 HA MET 1 HA MET 1 14.435 -2.650 15.447 5 1HB MET 1 2HB MET 1 15.600 -4.551 14.621 6 2HB MET 1 1HB MET 1 15.248 -4.894 16.307 7 1HG MET 1 2HG MET 1 13.698 -5.955 13.950 8 2HG MET 1 1HG MET 1 14.917 -6.842 14.863 9 1HE MET 1 1HE MET 1 13.168 -8.828 15.216 10 2HE MET 1 2HE MET 1 11.973 -7.915 14.296 11 3HE MET 1 3HE MET 1 11.547 -8.591 15.869 12 H SER 2 H SER 2 14.636 -3.134 12.988 13 HA SER 2 HA SER 2 11.956 -3.555 11.854 14 1HB SER 2 2HB SER 2 13.871 -1.336 11.103 15 2HB SER 2 1HB SER 2 12.360 -1.700 10.269 16 HG SER 2 HG SER 2 12.579 -1.010 13.021 17 H ILE 3 H ILE 3 12.616 -5.655 11.221 18 HA ILE 3 HA ILE 3 14.311 -5.614 8.818 19 HB ILE 3 HB ILE 3 15.289 -7.744 9.293 20 1HG1 ILE 3 2HG1 ILE 3 13.401 -7.790 11.631 21 2HG1 ILE 3 1HG1 ILE 3 13.481 -8.920 10.296 22 1HG2 ILE 3 1HG2 ILE 3 16.568 -7.287 11.348 23 2HG2 ILE 3 2HG2 ILE 3 15.428 -6.005 11.753 24 3HG2 ILE 3 3HG2 ILE 3 16.429 -5.867 10.309 25 1HD1 ILE 3 1HD1 ILE 3 15.608 -9.756 11.094 26 2HD1 ILE 3 2HD1 ILE 3 14.373 -9.883 12.346 27 3HD1 ILE 3 3HD1 ILE 3 15.580 -8.600 12.423 28 H SER 4 H SER 4 13.612 -6.847 7.156 29 HA SER 4 HA SER 4 11.953 -7.474 5.718 30 1HB SER 4 2HB SER 4 11.492 -9.493 7.924 31 2HB SER 4 1HB SER 4 10.947 -9.655 6.256 32 HG SER 4 HG SER 4 13.176 -10.517 7.152 33 H THR 5 H THR 5 10.814 -5.437 6.136 34 HA THR 5 HA THR 5 8.657 -5.339 7.991 35 HB THR 5 HB THR 5 8.005 -3.259 6.772 36 HG1 THR 5 1HG THR 5 10.232 -3.019 5.281 37 1HG2 THR 5 1HG2 THR 5 10.936 -3.486 7.475 38 2HG2 THR 5 2HG2 THR 5 9.621 -3.159 8.603 39 3HG2 THR 5 3HG2 THR 5 10.021 -1.981 7.354 40 H SER 6 H SER 6 6.387 -5.117 7.418 41 HA SER 6 HA SER 6 5.390 -7.277 6.025 42 1HB SER 6 2HB SER 6 3.929 -4.668 6.481 43 2HB SER 6 1HB SER 6 3.217 -6.274 6.311 44 HG SER 6 HG SER 6 4.704 -6.740 8.228 45 H ALA 7 H ALA 7 5.927 -3.974 4.877 46 HA ALA 7 HA ALA 7 4.672 -4.171 2.385 47 1HB ALA 7 1HB ALA 7 5.448 -2.053 3.329 48 2HB ALA 7 2HB ALA 7 6.064 -2.297 1.695 49 3HB ALA 7 3HB ALA 7 7.121 -2.555 3.085 50 H GLU 8 H GLU 8 8.103 -4.683 3.221 51 HA GLU 8 HA GLU 8 8.959 -5.561 0.708 52 1HB GLU 8 2HB GLU 8 9.990 -6.246 3.464 53 2HB GLU 8 1HB GLU 8 10.837 -6.627 1.972 54 1HG GLU 8 2HG GLU 8 10.081 -3.834 2.779 55 2HG GLU 8 1HG GLU 8 11.623 -4.581 3.189 56 H VAL 9 H VAL 9 7.575 -7.340 3.424 57 HA VAL 9 HA VAL 9 8.047 -9.934 2.438 58 HB VAL 9 HB VAL 9 5.890 -8.956 4.321 59 1HG1 VAL 9 1HG1 VAL 9 6.793 -11.785 3.772 60 2HG1 VAL 9 2HG1 VAL 9 5.246 -11.086 3.295 61 3HG1 VAL 9 3HG1 VAL 9 5.632 -11.286 5.003 62 1HG2 VAL 9 1HG2 VAL 9 8.547 -10.292 4.841 63 2HG2 VAL 9 2HG2 VAL 9 7.354 -9.856 6.065 64 3HG2 VAL 9 3HG2 VAL 9 8.164 -8.596 5.134 65 H TYR 10 H TYR 10 5.068 -7.962 2.315 66 HA TYR 10 HA TYR 10 3.602 -9.823 0.786 67 1HB TYR 10 2HB TYR 10 3.256 -6.858 1.205 68 2HB TYR 10 1HB TYR 10 2.144 -7.808 0.229 69 HD1 TYR 10 2HD TYR 10 1.289 -10.028 1.497 70 HD2 TYR 10 1HD TYR 10 2.662 -6.474 3.388 71 HE1 TYR 10 2HE TYR 10 0.017 -10.617 3.517 72 HE2 TYR 10 1HE TYR 10 1.393 -7.051 5.412 73 HH TYR 10 HH TYR 10 -0.539 -8.400 6.050 74 H TYR 11 H TYR 11 5.658 -7.100 -0.135 75 HA TYR 11 HA TYR 11 5.022 -7.131 -2.892 76 1HB TYR 11 2HB TYR 11 6.153 -5.237 -1.748 77 2HB TYR 11 1HB TYR 11 7.593 -6.232 -1.564 78 HD1 TYR 11 1HD TYR 11 5.364 -4.680 -4.104 79 HD2 TYR 11 2HD TYR 11 9.192 -6.353 -3.280 80 HE1 TYR 11 1HE TYR 11 6.167 -3.904 -6.295 81 HE2 TYR 11 2HE TYR 11 10.005 -5.583 -5.469 82 HH TYR 11 HH TYR 11 9.115 -4.951 -7.659 83 H GLU 12 H GLU 12 7.442 -8.810 -0.958 84 HA GLU 12 HA GLU 12 8.803 -10.018 -3.135 85 1HB GLU 12 2HB GLU 12 9.838 -9.822 -0.934 86 2HB GLU 12 1HB GLU 12 8.598 -10.853 -0.233 87 1HG GLU 12 2HG GLU 12 9.393 -12.755 -1.392 88 2HG GLU 12 1HG GLU 12 10.450 -11.778 -2.409 89 H GLU 13 H GLU 13 6.170 -11.165 -1.005 90 HA GLU 13 HA GLU 13 5.929 -13.721 -2.148 91 1HB GLU 13 2HB GLU 13 3.849 -11.969 -0.838 92 2HB GLU 13 1HB GLU 13 3.534 -13.618 -1.358 93 1HG GLU 13 2HG GLU 13 5.533 -14.251 0.111 94 2HG GLU 13 1HG GLU 13 5.330 -12.651 0.829 95 H ALA 14 H ALA 14 4.564 -10.603 -3.123 96 HA ALA 14 HA ALA 14 2.913 -11.506 -5.200 97 1HB ALA 14 1HB ALA 14 3.145 -9.256 -6.144 98 2HB ALA 14 2HB ALA 14 4.498 -8.938 -5.059 99 3HB ALA 14 3HB ALA 14 2.882 -9.192 -4.402 100 H GLU 15 H GLU 15 6.337 -10.640 -5.168 101 HA GLU 15 HA GLU 15 6.870 -11.205 -7.882 102 1HB GLU 15 2HB GLU 15 8.650 -11.151 -5.442 103 2HB GLU 15 1HB GLU 15 9.256 -11.318 -7.078 104 1HG GLU 15 2HG GLU 15 7.626 -8.989 -6.103 105 2HG GLU 15 1HG GLU 15 9.387 -9.017 -6.175 106 H GLU 16 H GLU 16 6.929 -13.180 -4.946 107 HA GLU 16 HA GLU 16 8.076 -15.488 -5.981 108 1HB GLU 16 2HB GLU 16 6.034 -15.143 -3.813 109 2HB GLU 16 1HB GLU 16 6.906 -16.618 -4.112 110 1HG GLU 16 2HG GLU 16 8.045 -13.996 -3.208 111 2HG GLU 16 1HG GLU 16 7.905 -15.475 -2.263 112 H PHE 17 H PHE 17 4.661 -14.593 -5.685 113 HA PHE 17 HA PHE 17 3.702 -16.935 -6.995 114 1HB PHE 17 2HB PHE 17 2.402 -14.301 -6.319 115 2HB PHE 17 1HB PHE 17 1.548 -15.562 -7.201 116 HD1 PHE 17 1HD PHE 17 1.456 -17.883 -6.090 117 HD2 PHE 17 2HD PHE 17 2.382 -14.294 -4.006 118 HE1 PHE 17 1HE PHE 17 0.824 -18.954 -3.965 119 HE2 PHE 17 2HE PHE 17 1.758 -15.355 -1.880 120 HZ PHE 17 HZ PHE 17 0.976 -17.691 -1.856 121 H LEU 18 H LEU 18 4.659 -13.759 -8.091 122 HA LEU 18 HA LEU 18 3.594 -13.894 -10.699 123 1HB LEU 18 2HB LEU 18 4.458 -11.835 -9.648 124 2HB LEU 18 1HB LEU 18 6.084 -12.482 -9.735 125 HG LEU 18 HG LEU 18 5.935 -12.477 -12.203 126 1HD1 LEU 18 1HD1 LEU 18 3.499 -12.703 -12.391 127 2HD1 LEU 18 2HD1 LEU 18 4.105 -11.325 -13.309 128 3HD1 LEU 18 3HD1 LEU 18 3.305 -11.068 -11.759 129 1HD2 LEU 18 1HD2 LEU 18 5.332 -9.824 -10.899 130 2HD2 LEU 18 2HD2 LEU 18 6.100 -10.058 -12.469 131 3HD2 LEU 18 3HD2 LEU 18 6.918 -10.590 -10.999 132 H SER 19 H SER 19 6.520 -15.144 -9.249 133 HA SER 19 HA SER 19 7.684 -16.018 -11.726 134 1HB SER 19 2HB SER 19 8.359 -16.894 -8.904 135 2HB SER 19 1HB SER 19 9.385 -17.040 -10.332 136 HG SER 19 HG SER 19 8.610 -14.697 -8.933 137 H LYS 20 H LYS 20 5.473 -17.290 -9.381 138 HA LYS 20 HA LYS 20 5.562 -20.016 -10.267 139 1HB LYS 20 2HB LYS 20 4.760 -19.316 -8.016 140 2HB LYS 20 1HB LYS 20 3.390 -18.525 -8.774 141 1HG LYS 20 2HG LYS 20 2.612 -20.592 -7.934 142 2HG LYS 20 1HG LYS 20 2.725 -20.769 -9.685 143 1HD LYS 20 2HD LYS 20 4.834 -21.950 -9.457 144 2HD LYS 20 1HD LYS 20 4.801 -21.705 -7.709 145 1HE LYS 20 2HE LYS 20 2.673 -22.988 -7.631 146 2HE LYS 20 1HE LYS 20 2.861 -23.330 -9.350 147 1HZ LYS 20 1HZ LYS 20 3.661 -25.154 -7.965 148 2HZ LYS 20 2HZ LYS 20 4.775 -24.115 -7.215 149 3HZ LYS 20 3HZ LYS 20 4.931 -24.477 -8.864 150 H GLY 21 H GLY 21 4.087 -17.096 -11.311 151 1HA GLY 21 2HA GLY 21 3.096 -16.758 -13.415 152 2HA GLY 21 1HA GLY 21 2.830 -18.492 -13.545 153 H ASP 22 H ASP 22 1.971 -16.745 -10.666 154 HA ASP 22 HA ASP 22 -0.870 -17.116 -11.362 155 1HB ASP 22 2HB ASP 22 0.042 -18.443 -9.410 156 2HB ASP 22 1HB ASP 22 0.291 -16.911 -8.578 157 H LEU 23 H LEU 23 -1.816 -15.265 -11.898 158 HA LEU 23 HA LEU 23 -0.680 -12.746 -10.988 159 1HB LEU 23 2HB LEU 23 -2.932 -13.350 -12.898 160 2HB LEU 23 1HB LEU 23 -2.378 -11.734 -12.510 161 HG LEU 23 HG LEU 23 -0.735 -13.877 -13.862 162 1HD1 LEU 23 1HD1 LEU 23 -0.896 -12.431 -15.826 163 2HD1 LEU 23 2HD1 LEU 23 -1.954 -11.337 -14.935 164 3HD1 LEU 23 3HD1 LEU 23 -2.487 -12.978 -15.297 165 1HD2 LEU 23 1HD2 LEU 23 -0.074 -11.001 -13.239 166 2HD2 LEU 23 2HD2 LEU 23 0.919 -12.107 -14.186 167 3HD2 LEU 23 3HD2 LEU 23 0.640 -12.421 -12.473 168 H VAL 24 H VAL 24 -3.288 -14.815 -10.182 169 HA VAL 24 HA VAL 24 -5.110 -12.836 -9.233 170 HB VAL 24 HB VAL 24 -4.984 -15.765 -8.487 171 1HG1 VAL 24 1HG1 VAL 24 -7.236 -13.764 -8.339 172 2HG1 VAL 24 2HG1 VAL 24 -6.372 -14.464 -6.970 173 3HG1 VAL 24 3HG1 VAL 24 -7.379 -15.488 -7.994 174 1HG2 VAL 24 1HG2 VAL 24 -5.122 -15.472 -10.912 175 2HG2 VAL 24 2HG2 VAL 24 -6.515 -14.411 -10.706 176 3HG2 VAL 24 3HG2 VAL 24 -6.631 -16.113 -10.263 177 H GLN 25 H GLN 25 -3.011 -15.173 -7.554 178 HA GLN 25 HA GLN 25 -3.561 -14.071 -4.977 179 1HB GLN 25 2HB GLN 25 -1.387 -15.963 -5.882 180 2HB GLN 25 1HB GLN 25 -1.781 -15.605 -4.207 181 1HG GLN 25 2HG GLN 25 -3.990 -16.546 -4.488 182 2HG GLN 25 1HG GLN 25 -3.671 -16.839 -6.196 183 1HE2 GLN 25 1HE2 GLN 25 -2.319 -18.507 -6.799 184 2HE2 GLN 25 2HE2 GLN 25 -1.845 -19.757 -5.699 185 H ALA 26 H ALA 26 -1.023 -13.633 -7.367 186 HA ALA 26 HA ALA 26 0.798 -12.222 -5.737 187 1HB ALA 26 1HB ALA 26 1.807 -11.450 -7.803 188 2HB ALA 26 2HB ALA 26 0.378 -11.939 -8.712 189 3HB ALA 26 3HB ALA 26 1.389 -13.159 -7.937 190 H CYS 27 H CYS 27 -2.006 -11.218 -7.598 191 HA CYS 27 HA CYS 27 -1.630 -8.443 -7.494 192 1HB CYS 27 2HB CYS 27 -3.283 -9.648 -8.946 193 2HB CYS 27 1HB CYS 27 -4.283 -9.901 -7.520 194 HG CYS 27 HG CYS 27 -3.407 -6.792 -8.650 195 H GLU 28 H GLU 28 -3.249 -10.664 -5.278 196 HA GLU 28 HA GLU 28 -4.249 -8.676 -3.524 197 1HB GLU 28 2HB GLU 28 -5.083 -11.033 -3.648 198 2HB GLU 28 1HB GLU 28 -3.588 -11.559 -2.883 199 1HG GLU 28 2HG GLU 28 -4.152 -10.147 -0.925 200 2HG GLU 28 1HG GLU 28 -5.700 -9.779 -1.686 201 H LYS 29 H LYS 29 -1.195 -10.355 -3.790 202 HA LYS 29 HA LYS 29 -0.266 -9.820 -1.182 203 1HB LYS 29 2HB LYS 29 1.133 -10.572 -3.731 204 2HB LYS 29 1HB LYS 29 2.020 -10.270 -2.242 205 1HG LYS 29 2HG LYS 29 -0.151 -12.329 -2.592 206 2HG LYS 29 1HG LYS 29 1.585 -12.651 -2.582 207 1HD LYS 29 2HD LYS 29 1.738 -11.797 -0.297 208 2HD LYS 29 1HD LYS 29 0.008 -11.448 -0.306 209 1HE LYS 29 2HE LYS 29 -0.500 -13.801 -0.529 210 2HE LYS 29 1HE LYS 29 1.216 -14.189 -0.659 211 1HZ LYS 29 1HZ LYS 29 1.561 -13.478 1.592 212 2HZ LYS 29 2HZ LYS 29 0.277 -14.591 1.573 213 3HZ LYS 29 3HZ LYS 29 -0.045 -12.937 1.723 214 H TYR 30 H TYR 30 0.570 -8.160 -4.275 215 HA TYR 30 HA TYR 30 2.056 -6.191 -2.840 216 1HB TYR 30 2HB TYR 30 2.205 -4.952 -4.971 217 2HB TYR 30 1HB TYR 30 2.704 -6.627 -5.122 218 HD1 TYR 30 1HD TYR 30 -0.321 -4.479 -5.629 219 HD2 TYR 30 2HD TYR 30 1.948 -7.835 -6.930 220 HE1 TYR 30 1HE TYR 30 -1.804 -4.719 -7.573 221 HE2 TYR 30 2HE TYR 30 0.461 -8.094 -8.870 222 HH TYR 30 HH TYR 30 -1.740 -7.496 -9.604 223 H TYR 31 H TYR 31 -1.262 -6.575 -3.589 224 HA TYR 31 HA TYR 31 -2.087 -3.887 -3.306 225 1HB TYR 31 2HB TYR 31 -3.733 -5.290 -4.195 226 2HB TYR 31 1HB TYR 31 -3.456 -6.544 -2.991 227 HD1 TYR 31 1HD TYR 31 -4.779 -3.070 -3.355 228 HD2 TYR 31 2HD TYR 31 -4.823 -6.698 -1.131 229 HE1 TYR 31 1HE TYR 31 -6.626 -2.201 -1.979 230 HE2 TYR 31 2HE TYR 31 -6.666 -5.841 0.244 231 HH TYR 31 HH TYR 31 -7.457 -3.474 0.937 232 H LYS 32 H LYS 32 -1.902 -6.562 -0.963 233 HA LYS 32 HA LYS 32 -2.725 -5.014 1.251 234 1HB LYS 32 2HB LYS 32 -1.293 -7.650 1.024 235 2HB LYS 32 1HB LYS 32 -1.701 -6.936 2.579 236 1HG LYS 32 2HG LYS 32 -4.045 -6.978 2.038 237 2HG LYS 32 1HG LYS 32 -3.691 -7.546 0.409 238 1HD LYS 32 2HD LYS 32 -2.901 -9.643 1.233 239 2HD LYS 32 1HD LYS 32 -2.969 -9.070 2.903 240 1HE LYS 32 2HE LYS 32 -5.366 -8.935 2.816 241 2HE LYS 32 1HE LYS 32 -5.367 -9.304 1.092 242 1HZ LYS 32 1HZ LYS 32 -5.928 -11.200 2.595 243 2HZ LYS 32 2HZ LYS 32 -4.323 -11.178 3.140 244 3HZ LYS 32 3HZ LYS 32 -4.666 -11.501 1.508 245 H ALA 33 H ALA 33 0.381 -5.544 -0.236 246 HA ALA 33 HA ALA 33 2.056 -4.578 1.789 247 1HB ALA 33 1HB ALA 33 2.361 -4.258 -1.197 248 2HB ALA 33 2HB ALA 33 2.903 -5.640 -0.246 249 3HB ALA 33 3HB ALA 33 3.640 -4.058 0.002 250 H ALA 34 H ALA 34 0.023 -2.928 -0.540 251 HA ALA 34 HA ALA 34 1.075 -0.321 -0.068 252 1HB ALA 34 1HB ALA 34 -0.075 -0.888 -2.147 253 2HB ALA 34 2HB ALA 34 -0.855 0.468 -1.334 254 3HB ALA 34 3HB ALA 34 -1.575 -1.139 -1.254 255 H GLU 35 H GLU 35 -1.630 -2.186 1.263 256 HA GLU 35 HA GLU 35 -2.890 -0.085 2.648 257 1HB GLU 35 2HB GLU 35 -2.818 -2.901 3.709 258 2HB GLU 35 1HB GLU 35 -4.112 -1.716 3.829 259 1HG GLU 35 2HG GLU 35 -4.473 -1.951 1.388 260 2HG GLU 35 1HG GLU 35 -3.273 -3.243 1.380 261 H GLU 36 H GLU 36 -0.433 -2.421 3.652 262 HA GLU 36 HA GLU 36 -0.157 -1.558 6.305 263 1HB GLU 36 2HB GLU 36 1.873 -2.861 4.485 264 2HB GLU 36 1HB GLU 36 2.064 -2.674 6.222 265 1HG GLU 36 2HG GLU 36 -0.107 -4.249 4.855 266 2HG GLU 36 1HG GLU 36 1.334 -4.922 5.615 267 H ALA 37 H ALA 37 1.579 -0.597 3.363 268 HA ALA 37 HA ALA 37 3.509 1.025 4.583 269 1HB ALA 37 1HB ALA 37 3.678 0.263 2.275 270 2HB ALA 37 2HB ALA 37 3.823 2.019 2.373 271 3HB ALA 37 3HB ALA 37 2.315 1.287 1.827 272 H ILE 38 H ILE 38 0.326 1.925 3.240 273 HA ILE 38 HA ILE 38 0.463 4.671 3.743 274 HB ILE 38 HB ILE 38 -1.945 2.843 3.784 275 1HG1 ILE 38 2HG1 ILE 38 -0.758 2.929 1.637 276 2HG1 ILE 38 1HG1 ILE 38 -2.338 3.694 1.521 277 1HG2 ILE 38 1HG2 ILE 38 -3.311 4.856 3.491 278 2HG2 ILE 38 2HG2 ILE 38 -1.872 5.855 3.688 279 3HG2 ILE 38 3HG2 ILE 38 -2.451 4.867 5.030 280 1HD1 ILE 38 1HD1 ILE 38 -1.302 5.885 1.653 281 2HD1 ILE 38 2HD1 ILE 38 -0.627 4.946 0.321 282 3HD1 ILE 38 3HD1 ILE 38 0.285 5.136 1.819 283 H LYS 39 H LYS 39 -0.608 2.018 5.802 284 HA LYS 39 HA LYS 39 -1.410 3.487 8.040 285 1HB LYS 39 2HB LYS 39 -1.912 1.129 7.774 286 2HB LYS 39 1HB LYS 39 -0.203 0.724 7.825 287 1HG LYS 39 2HG LYS 39 -0.101 1.479 10.153 288 2HG LYS 39 1HG LYS 39 -1.824 1.860 10.097 289 1HD LYS 39 2HD LYS 39 -1.400 -0.327 11.140 290 2HD LYS 39 1HD LYS 39 -2.346 -0.477 9.659 291 1HE LYS 39 2HE LYS 39 -0.337 -1.098 8.427 292 2HE LYS 39 1HE LYS 39 0.629 -0.928 9.891 293 1HZ LYS 39 1HZ LYS 39 -1.597 -2.866 9.529 294 2HZ LYS 39 2HZ LYS 39 -0.598 -2.730 10.894 295 3HZ LYS 39 3HZ LYS 39 0.053 -3.242 9.409 296 H LEU 40 H LEU 40 1.773 2.050 7.288 297 HA LEU 40 HA LEU 40 3.177 2.833 9.516 298 1HB LEU 40 2HB LEU 40 3.847 2.196 6.720 299 2HB LEU 40 1HB LEU 40 5.066 3.087 7.599 300 HG LEU 40 HG LEU 40 4.887 1.285 9.367 301 1HD1 LEU 40 1HD1 LEU 40 4.075 -0.900 8.623 302 2HD1 LEU 40 2HD1 LEU 40 3.440 -0.141 7.163 303 3HD1 LEU 40 3HD1 LEU 40 2.788 0.300 8.741 304 1HD2 LEU 40 1HD2 LEU 40 6.343 -0.263 8.116 305 2HD2 LEU 40 2HD2 LEU 40 6.796 1.429 7.905 306 3HD2 LEU 40 3HD2 LEU 40 5.915 0.585 6.631 307 H LEU 41 H LEU 41 2.715 4.704 6.509 308 HA LEU 41 HA LEU 41 4.264 6.919 7.195 309 1HB LEU 41 2HB LEU 41 1.987 6.465 5.336 310 2HB LEU 41 1HB LEU 41 2.393 8.125 5.720 311 HG LEU 41 HG LEU 41 4.732 7.656 4.941 312 1HD1 LEU 41 1HD1 LEU 41 5.113 5.722 3.516 313 2HD1 LEU 41 2HD1 LEU 41 3.503 5.112 3.898 314 3HD1 LEU 41 3HD1 LEU 41 4.724 5.229 5.165 315 1HD2 LEU 41 1HD2 LEU 41 2.512 7.266 2.942 316 2HD2 LEU 41 2HD2 LEU 41 4.159 7.775 2.571 317 3HD2 LEU 41 3HD2 LEU 41 3.115 8.811 3.543 318 H VAL 42 H VAL 42 0.849 6.265 7.846 319 HA VAL 42 HA VAL 42 0.256 8.804 8.947 320 HB VAL 42 HB VAL 42 -1.150 6.164 9.394 321 1HG1 VAL 42 1HG1 VAL 42 -2.145 8.988 9.798 322 2HG1 VAL 42 2HG1 VAL 42 -1.755 7.839 11.077 323 3HG1 VAL 42 3HG1 VAL 42 -3.101 7.518 9.983 324 1HG2 VAL 42 1HG2 VAL 42 -2.659 6.910 7.618 325 2HG2 VAL 42 2HG2 VAL 42 -1.004 6.738 7.036 326 3HG2 VAL 42 3HG2 VAL 42 -1.660 8.342 7.371 327 H ILE 43 H ILE 43 1.435 5.804 10.361 328 HA ILE 43 HA ILE 43 0.854 6.510 13.051 329 HB ILE 43 HB ILE 43 2.771 4.450 11.950 330 1HG1 ILE 43 2HG1 ILE 43 -0.024 4.200 13.097 331 2HG1 ILE 43 1HG1 ILE 43 0.393 4.081 11.390 332 1HG2 ILE 43 1HG2 ILE 43 1.767 4.815 14.774 333 2HG2 ILE 43 2HG2 ILE 43 3.414 5.105 14.214 334 3HG2 ILE 43 3HG2 ILE 43 2.751 3.471 14.195 335 1HD1 ILE 43 1HD1 ILE 43 0.045 1.887 12.340 336 2HD1 ILE 43 2HD1 ILE 43 1.261 2.204 13.577 337 3HD1 ILE 43 3HD1 ILE 43 1.737 2.087 11.884 338 H GLU 44 H GLU 44 3.925 6.590 11.189 339 HA GLU 44 HA GLU 44 5.314 7.563 13.511 340 1HB GLU 44 2HB GLU 44 7.289 7.701 12.027 341 2HB GLU 44 1HB GLU 44 6.532 6.119 12.067 342 1HG GLU 44 2HG GLU 44 5.482 6.547 9.921 343 2HG GLU 44 1HG GLU 44 6.200 8.160 9.884 344 H ASN 45 H ASN 45 3.937 9.058 10.644 345 HA ASN 45 HA ASN 45 5.123 11.617 11.286 346 1HB ASN 45 2HB ASN 45 3.045 10.766 9.262 347 2HB ASN 45 1HB ASN 45 3.491 12.449 9.506 348 1HD2 ASN 45 1HD2 ASN 45 4.470 9.376 8.278 349 2HD2 ASN 45 2HD2 ASN 45 5.899 9.923 7.470 350 H ASN 46 H ASN 46 2.472 9.767 12.216 351 HA ASN 46 HA ASN 46 0.823 10.006 13.716 352 1HB ASN 46 2HB ASN 46 2.795 10.886 15.049 353 2HB ASN 46 1HB ASN 46 2.213 12.503 14.668 354 1HD2 ASN 46 1HD2 ASN 46 1.701 9.628 16.487 355 2HD2 ASN 46 2HD2 ASN 46 0.418 10.224 17.486 356 H LEU 47 H LEU 47 -0.562 10.491 11.858 357 HA LEU 47 HA LEU 47 -1.492 13.216 11.641 358 1HB LEU 47 2HB LEU 47 -2.667 10.649 10.581 359 2HB LEU 47 1HB LEU 47 -3.252 12.252 10.202 360 HG LEU 47 HG LEU 47 -0.552 11.136 9.447 361 1HD1 LEU 47 1HD1 LEU 47 -1.406 11.212 7.172 362 2HD1 LEU 47 2HD1 LEU 47 -2.959 11.805 7.760 363 3HD1 LEU 47 3HD1 LEU 47 -2.421 10.180 8.181 364 1HD2 LEU 47 1HD2 LEU 47 -1.814 13.808 8.841 365 2HD2 LEU 47 2HD2 LEU 47 -0.308 13.206 8.149 366 3HD2 LEU 47 3HD2 LEU 47 -0.419 13.524 9.881 367 H LYS 48 H LYS 48 -2.122 13.761 13.700 368 HA LYS 48 HA LYS 48 -3.468 12.034 15.458 369 1HB LYS 48 2HB LYS 48 -2.132 14.006 16.163 370 2HB LYS 48 1HB LYS 48 -3.406 15.052 15.548 371 1HG LYS 48 2HG LYS 48 -4.975 14.092 17.143 372 2HG LYS 48 1HG LYS 48 -3.709 13.025 17.753 373 1HD LYS 48 2HD LYS 48 -2.404 14.989 18.438 374 2HD LYS 48 1HD LYS 48 -3.693 16.042 17.849 375 1HE LYS 48 2HE LYS 48 -5.247 14.947 19.436 376 2HE LYS 48 1HE LYS 48 -3.895 14.012 20.069 377 1HZ LYS 48 1HZ LYS 48 -4.100 16.972 20.107 378 2HZ LYS 48 2HZ LYS 48 -2.826 16.057 20.753 379 3HZ LYS 48 3HZ LYS 48 -4.382 15.950 21.428 380 H GLU 49 H GLU 49 -4.608 14.325 13.097 381 HA GLU 49 HA GLU 49 -7.277 14.547 13.955 382 1HB GLU 49 2HB GLU 49 -6.146 16.019 12.279 383 2HB GLU 49 1HB GLU 49 -6.254 14.702 11.123 384 1HG GLU 49 2HG GLU 49 -8.690 14.763 11.272 385 2HG GLU 49 1HG GLU 49 -8.581 16.090 12.428 386 H ILE 50 H ILE 50 -5.576 12.073 12.225 387 HA ILE 50 HA ILE 50 -8.044 10.704 11.476 388 HB ILE 50 HB ILE 50 -5.167 9.957 10.938 389 1HG1 ILE 50 2HG1 ILE 50 -5.822 11.988 9.747 390 2HG1 ILE 50 1HG1 ILE 50 -5.645 10.652 8.619 391 1HG2 ILE 50 1HG2 ILE 50 -6.099 8.341 9.338 392 2HG2 ILE 50 2HG2 ILE 50 -7.722 8.747 9.897 393 3HG2 ILE 50 3HG2 ILE 50 -6.570 7.989 11.000 394 1HD1 ILE 50 1HD1 ILE 50 -7.588 11.998 8.078 395 2HD1 ILE 50 2HD1 ILE 50 -8.240 11.723 9.693 396 3HD1 ILE 50 3HD1 ILE 50 -8.076 10.374 8.569 397 H THR 51 H THR 51 -5.143 10.210 13.462 398 HA THR 51 HA THR 51 -5.601 7.565 14.202 399 HB THR 51 HB THR 51 -4.132 8.108 16.191 400 HG1 THR 51 1HG THR 51 -3.331 10.176 16.349 401 1HG2 THR 51 1HG2 THR 51 -2.141 8.484 14.802 402 2HG2 THR 51 2HG2 THR 51 -3.174 8.938 13.448 403 3HG2 THR 51 3HG2 THR 51 -3.217 7.290 14.076 404 H ASN 52 H ASN 52 -6.801 10.542 15.703 405 HA ASN 52 HA ASN 52 -7.781 9.260 18.042 406 1HB ASN 52 2HB ASN 52 -8.798 11.303 18.633 407 2HB ASN 52 1HB ASN 52 -7.350 11.764 17.751 408 1HD2 ASN 52 1HD2 ASN 52 -7.534 12.764 15.779 409 2HD2 ASN 52 2HD2 ASN 52 -9.037 13.393 15.192 410 H ASN 53 H ASN 53 -8.987 9.541 14.832 411 HA ASN 53 HA ASN 53 -11.714 8.895 15.550 412 1HB ASN 53 2HB ASN 53 -10.256 9.501 13.012 413 2HB ASN 53 1HB ASN 53 -11.767 8.615 12.921 414 1HD2 ASN 53 1HD2 ASN 53 -10.261 11.646 13.605 415 2HD2 ASN 53 2HD2 ASN 53 -11.716 12.571 13.749 416 H VAL 54 H VAL 54 -8.810 7.238 14.889 417 HA VAL 54 HA VAL 54 -10.091 4.800 13.976 418 HB VAL 54 HB VAL 54 -7.205 5.132 14.824 419 1HG1 VAL 54 1HG1 VAL 54 -8.530 3.154 12.973 420 2HG1 VAL 54 2HG1 VAL 54 -7.943 2.829 14.605 421 3HG1 VAL 54 3HG1 VAL 54 -6.803 3.244 13.325 422 1HG2 VAL 54 1HG2 VAL 54 -6.679 5.524 12.458 423 2HG2 VAL 54 2HG2 VAL 54 -7.682 6.803 13.141 424 3HG2 VAL 54 3HG2 VAL 54 -8.405 5.580 12.095 425 H LYS 55 H LYS 55 -9.578 6.307 16.898 426 HA LYS 55 HA LYS 55 -8.864 4.182 18.600 427 1HB LYS 55 2HB LYS 55 -8.834 6.659 19.114 428 2HB LYS 55 1HB LYS 55 -10.569 6.552 19.346 429 1HG LYS 55 2HG LYS 55 -10.268 4.977 21.155 430 2HG LYS 55 1HG LYS 55 -8.524 4.983 20.898 431 1HD LYS 55 2HD LYS 55 -8.492 7.395 21.435 432 2HD LYS 55 1HD LYS 55 -10.223 7.316 21.775 433 1HE LYS 55 2HE LYS 55 -9.814 5.688 23.541 434 2HE LYS 55 1HE LYS 55 -8.089 5.713 23.184 435 1HZ LYS 55 1HZ LYS 55 -8.112 8.110 23.764 436 2HZ LYS 55 2HZ LYS 55 -8.491 7.086 25.059 437 3HZ LYS 55 3HZ LYS 55 -9.724 7.941 24.271 438 H ASN 56 H ASN 56 -11.806 5.000 17.045 439 HA ASN 56 HA ASN 56 -13.622 3.716 18.830 440 1HB ASN 56 2HB ASN 56 -14.283 5.408 17.103 441 2HB ASN 56 1HB ASN 56 -13.969 4.202 15.862 442 1HD2 ASN 56 1HD2 ASN 56 -16.095 4.250 15.148 443 2HD2 ASN 56 2HD2 ASN 56 -17.390 3.544 16.055 444 H LYS 57 H LYS 57 -11.739 2.688 16.073 445 HA LYS 57 HA LYS 57 -12.832 0.002 16.164 446 1HB LYS 57 2HB LYS 57 -11.033 1.526 14.306 447 2HB LYS 57 1HB LYS 57 -11.169 -0.211 14.206 448 1HG LYS 57 2HG LYS 57 -13.540 1.618 14.041 449 2HG LYS 57 1HG LYS 57 -12.621 1.095 12.628 450 1HD LYS 57 2HD LYS 57 -13.113 -1.236 13.171 451 2HD LYS 57 1HD LYS 57 -14.022 -0.718 14.591 452 1HE LYS 57 2HE LYS 57 -15.609 0.459 13.168 453 2HE LYS 57 1HE LYS 57 -14.681 0.009 11.738 454 1HZ LYS 57 1HZ LYS 57 -15.902 -1.966 13.585 455 2HZ LYS 57 2HZ LYS 57 -15.215 -2.267 12.060 456 3HZ LYS 57 3HZ LYS 57 -16.667 -1.401 12.182 457 H GLY 58 H GLY 58 -11.375 -1.846 16.282 458 1HA GLY 58 2HA GLY 58 -9.049 -1.338 17.993 459 2HA GLY 58 1HA GLY 58 -9.768 -2.909 17.654 460 H ARG 59 H ARG 59 -9.783 -1.714 14.755 461 HA ARG 59 HA ARG 59 -7.010 -1.831 14.020 462 1HB ARG 59 2HB ARG 59 -7.602 -4.227 14.237 463 2HB ARG 59 1HB ARG 59 -8.911 -3.997 13.089 464 1HG ARG 59 2HG ARG 59 -7.469 -3.757 11.296 465 2HG ARG 59 1HG ARG 59 -6.099 -3.340 12.327 466 1HD ARG 59 2HD ARG 59 -5.933 -5.610 11.364 467 2HD ARG 59 1HD ARG 59 -5.946 -5.601 13.126 468 HE ARG 59 HE ARG 59 -8.576 -5.959 12.161 469 1HH1 ARG 59 1HH1 ARG 59 -5.517 -7.644 12.481 470 2HH1 ARG 59 2HH1 ARG 59 -6.240 -9.230 12.475 471 1HH2 ARG 59 1HH2 ARG 59 -9.538 -8.021 12.180 472 2HH2 ARG 59 2HH2 ARG 59 -8.544 -9.444 12.322 473 H TRP 60 H TRP 60 -6.774 -1.444 11.666 474 HA TRP 60 HA TRP 60 -8.336 0.794 10.983 475 1HB TRP 60 2HB TRP 60 -6.306 -0.774 9.395 476 2HB TRP 60 1HB TRP 60 -7.026 0.730 8.839 477 HD1 TRP 60 HD TRP 60 -4.998 -0.496 11.920 478 HE1 TRP 60 1HE TRP 60 -3.417 1.407 12.627 479 HE3 TRP 60 3HE TRP 60 -6.435 3.043 8.530 480 HZ2 TRP 60 2HZ TRP 60 -2.846 4.059 11.836 481 HZ3 TRP 60 3HZ TRP 60 -5.319 5.233 8.567 482 HH2 TRP 60 HH TRP 60 -3.561 5.727 10.185 483 H LYS 61 H LYS 61 -9.638 1.171 9.191 484 HA LYS 61 HA LYS 61 -10.899 -1.197 7.967 485 1HB LYS 61 2HB LYS 61 -12.362 0.104 9.562 486 2HB LYS 61 1HB LYS 61 -12.197 1.490 8.494 487 1HG LYS 61 2HG LYS 61 -13.236 0.163 6.679 488 2HG LYS 61 1HG LYS 61 -13.488 -1.150 7.831 489 1HD LYS 61 2HD LYS 61 -14.803 0.426 9.242 490 2HD LYS 61 1HD LYS 61 -14.653 1.629 7.962 491 1HE LYS 61 2HE LYS 61 -15.789 0.095 6.410 492 2HE LYS 61 1HE LYS 61 -15.964 -1.077 7.714 493 1HZ LYS 61 1HZ LYS 61 -17.993 0.041 7.631 494 2HZ LYS 61 2HZ LYS 61 -17.273 1.561 7.427 495 3HZ LYS 61 3HZ LYS 61 -17.184 0.778 8.930 496 H SER 62 H SER 62 -11.489 -0.961 5.730 497 HA SER 62 HA SER 62 -9.562 0.242 4.143 498 1HB SER 62 2HB SER 62 -11.374 -0.080 2.298 499 2HB SER 62 1HB SER 62 -10.716 -1.492 3.124 500 HG SER 62 HG SER 62 -12.684 -1.925 3.670 501 H GLU 63 H GLU 63 -12.770 1.486 5.002 502 HA GLU 63 HA GLU 63 -12.722 3.794 3.410 503 1HB GLU 63 2HB GLU 63 -14.766 3.017 4.470 504 2HB GLU 63 1HB GLU 63 -14.074 3.266 6.066 505 1HG GLU 63 2HG GLU 63 -15.633 5.025 5.579 506 2HG GLU 63 1HG GLU 63 -14.002 5.687 5.633 507 H ASN 64 H ASN 64 -11.380 3.139 6.593 508 HA ASN 64 HA ASN 64 -10.702 5.877 7.129 509 1HB ASN 64 2HB ASN 64 -11.141 3.940 8.817 510 2HB ASN 64 1HB ASN 64 -9.461 3.515 8.520 511 1HD2 ASN 64 1HD2 ASN 64 -10.843 4.502 10.934 512 2HD2 ASN 64 2HD2 ASN 64 -9.961 5.905 11.420 513 H LEU 65 H LEU 65 -9.163 3.090 5.705 514 HA LEU 65 HA LEU 65 -6.502 4.038 5.661 515 1HB LEU 65 2HB LEU 65 -7.954 2.142 3.819 516 2HB LEU 65 1HB LEU 65 -6.232 2.449 3.734 517 HG LEU 65 HG LEU 65 -7.637 1.299 6.146 518 1HD1 LEU 65 1HD1 LEU 65 -6.651 -0.828 5.488 519 2HD1 LEU 65 2HD1 LEU 65 -5.997 -0.085 4.028 520 3HD1 LEU 65 3HD1 LEU 65 -7.742 -0.227 4.240 521 1HD2 LEU 65 1HD2 LEU 65 -5.368 0.751 6.881 522 2HD2 LEU 65 2HD2 LEU 65 -5.586 2.490 6.693 523 3HD2 LEU 65 3HD2 LEU 65 -4.710 1.574 5.467 524 H PHE 66 H PHE 66 -9.225 4.433 3.479 525 HA PHE 66 HA PHE 66 -7.778 5.877 1.484 526 1HB PHE 66 2HB PHE 66 -9.903 4.626 1.064 527 2HB PHE 66 1HB PHE 66 -10.761 5.843 2.003 528 HD1 PHE 66 1HD PHE 66 -8.777 5.296 -1.068 529 HD2 PHE 66 2HD PHE 66 -11.416 7.888 1.036 530 HE1 PHE 66 1HE PHE 66 -9.048 6.658 -3.097 531 HE2 PHE 66 2HE PHE 66 -11.691 9.257 -0.992 532 HZ PHE 66 HZ PHE 66 -10.506 8.641 -3.063 533 H LYS 67 H LYS 67 -9.362 6.684 4.452 534 HA LYS 67 HA LYS 67 -9.750 9.463 3.986 535 1HB LYS 67 2HB LYS 67 -10.492 7.680 5.937 536 2HB LYS 67 1HB LYS 67 -9.266 8.626 6.764 537 1HG LYS 67 2HG LYS 67 -11.129 9.829 7.280 538 2HG LYS 67 1HG LYS 67 -10.621 10.654 5.808 539 1HD LYS 67 2HD LYS 67 -12.662 8.434 5.885 540 2HD LYS 67 1HD LYS 67 -13.067 10.148 5.928 541 1HE LYS 67 2HE LYS 67 -12.026 10.464 3.751 542 2HE LYS 67 1HE LYS 67 -11.552 8.765 3.716 543 1HZ LYS 67 1HZ LYS 67 -14.366 9.691 3.888 544 2HZ LYS 67 2HZ LYS 67 -13.821 8.101 3.612 545 3HZ LYS 67 3HZ LYS 67 -13.593 9.296 2.430 546 H ALA 68 H ALA 68 -7.225 7.571 5.589 547 HA ALA 68 HA ALA 68 -5.692 9.809 6.419 548 1HB ALA 68 1HB ALA 68 -3.969 8.176 6.964 549 2HB ALA 68 2HB ALA 68 -4.841 6.940 6.056 550 3HB ALA 68 3HB ALA 68 -5.555 7.633 7.512 551 H SER 69 H SER 69 -5.566 7.721 3.580 552 HA SER 69 HA SER 69 -3.134 8.794 2.552 553 1HB SER 69 2HB SER 69 -3.937 7.589 0.430 554 2HB SER 69 1HB SER 69 -3.641 6.598 1.860 555 HG SER 69 HG SER 69 -5.712 6.185 2.025 556 H LYS 70 H LYS 70 -6.483 9.629 2.316 557 HA LYS 70 HA LYS 70 -6.584 11.277 0.092 558 1HB LYS 70 2HB LYS 70 -8.408 10.582 1.777 559 2HB LYS 70 1HB LYS 70 -7.886 11.960 2.718 560 1HG LYS 70 2HG LYS 70 -8.590 12.396 -0.134 561 2HG LYS 70 1HG LYS 70 -9.888 12.133 1.031 562 1HD LYS 70 2HD LYS 70 -8.987 13.976 2.404 563 2HD LYS 70 1HD LYS 70 -7.752 14.262 1.176 564 1HE LYS 70 2HE LYS 70 -9.407 14.848 -0.447 565 2HE LYS 70 1HE LYS 70 -10.712 14.357 0.633 566 1HZ LYS 70 1HZ LYS 70 -8.835 16.611 1.116 567 2HZ LYS 70 2HZ LYS 70 -10.115 16.150 2.128 568 3HZ LYS 70 3HZ LYS 70 -10.433 16.762 0.579 569 H LEU 71 H LEU 71 -5.567 11.965 3.372 570 HA LEU 71 HA LEU 71 -4.718 14.658 2.804 571 1HB LEU 71 2HB LEU 71 -4.128 12.882 5.180 572 2HB LEU 71 1HB LEU 71 -3.826 14.606 5.094 573 HG LEU 71 HG LEU 71 -6.545 13.298 5.006 574 1HD1 LEU 71 1HD1 LEU 71 -5.178 14.892 7.168 575 2HD1 LEU 71 2HD1 LEU 71 -5.526 13.163 7.207 576 3HD1 LEU 71 3HD1 LEU 71 -6.849 14.330 7.204 577 1HD2 LEU 71 1HD2 LEU 71 -7.408 15.585 5.159 578 2HD2 LEU 71 2HD2 LEU 71 -6.473 15.345 3.683 579 3HD2 LEU 71 3HD2 LEU 71 -5.764 16.212 5.045 580 H LEU 72 H LEU 72 -2.229 14.538 4.304 581 HA LEU 72 HA LEU 72 0.013 14.270 4.040 582 1HB LEU 72 2HB LEU 72 -0.770 11.863 2.396 583 2HB LEU 72 1HB LEU 72 0.861 12.235 2.919 584 HG LEU 72 HG LEU 72 -1.452 11.655 4.775 585 1HD1 LEU 72 1HD1 LEU 72 -0.824 9.684 3.490 586 2HD1 LEU 72 2HD1 LEU 72 -0.339 9.521 5.178 587 3HD1 LEU 72 3HD1 LEU 72 0.865 9.913 3.949 588 1HD2 LEU 72 1HD2 LEU 72 0.231 13.109 5.770 589 2HD2 LEU 72 2HD2 LEU 72 1.501 11.976 5.305 590 3HD2 LEU 72 3HD2 LEU 72 0.287 11.502 6.492 591 H ARG 73 H ARG 73 -2.002 15.198 1.722 592 HA ARG 73 HA ARG 73 -0.399 15.193 -0.621 593 1HB ARG 73 2HB ARG 73 -2.889 15.411 -0.585 594 2HB ARG 73 1HB ARG 73 -2.710 17.011 0.110 595 1HG ARG 73 2HG ARG 73 -1.423 16.391 -2.512 596 2HG ARG 73 1HG ARG 73 -3.153 16.718 -2.435 597 1HD ARG 73 2HD ARG 73 -0.914 18.535 -1.554 598 2HD ARG 73 1HD ARG 73 -1.986 18.762 -2.935 599 HE ARG 73 HE ARG 73 -3.809 18.836 -1.124 600 1HH1 ARG 73 1HH1 ARG 73 -0.548 20.047 -0.745 601 2HH1 ARG 73 2HH1 ARG 73 -0.980 21.206 0.475 602 1HH2 ARG 73 1HH2 ARG 73 -4.386 20.363 0.467 603 2HH2 ARG 73 2HH2 ARG 73 -3.168 21.380 1.175 604 H SER 74 H SER 74 -0.580 17.173 2.203 605 HA SER 74 HA SER 74 0.559 19.559 1.341 606 1HB SER 74 2HB SER 74 0.982 18.139 3.980 607 2HB SER 74 1HB SER 74 1.289 19.848 3.674 608 HG SER 74 HG SER 74 -0.718 19.774 4.553 609 H ASN 75 H ASN 75 2.040 16.449 1.909 610 HA ASN 75 HA ASN 75 4.705 17.590 1.508 611 1HB ASN 75 2HB ASN 75 4.531 16.013 3.350 612 2HB ASN 75 1HB ASN 75 3.859 14.790 2.277 613 1HD2 ASN 75 1HD2 ASN 75 6.737 16.560 3.174 614 2HD2 ASN 75 2HD2 ASN 75 7.862 15.502 2.378 615 H ASN 76 H ASN 76 2.770 14.861 0.258 616 HA ASN 76 HA ASN 76 3.860 15.411 -2.396 617 1HB ASN 76 2HB ASN 76 5.349 13.721 -1.357 618 2HB ASN 76 1HB ASN 76 3.960 12.661 -1.138 619 1HD2 ASN 76 1HD2 ASN 76 5.022 11.099 -2.419 620 2HD2 ASN 76 2HD2 ASN 76 5.079 11.242 -4.144 621 H THR 77 H THR 77 2.299 15.431 -3.836 622 HA THR 77 HA THR 77 -0.374 14.734 -3.112 623 HB THR 77 HB THR 77 0.614 15.464 -5.863 624 HG1 THR 77 1HG THR 77 1.377 17.076 -4.551 625 1HG2 THR 77 1HG2 THR 77 -1.613 16.465 -6.100 626 2HG2 THR 77 2HG2 THR 77 -2.030 15.925 -4.473 627 3HG2 THR 77 3HG2 THR 77 -1.724 14.741 -5.745 628 H GLU 78 H GLU 78 2.191 12.950 -4.452 629 HA GLU 78 HA GLU 78 0.760 11.206 -6.152 630 1HB GLU 78 2HB GLU 78 3.333 10.765 -4.650 631 2HB GLU 78 1HB GLU 78 2.721 9.742 -5.931 632 1HG GLU 78 2HG GLU 78 2.890 11.614 -7.498 633 2HG GLU 78 1HG GLU 78 3.549 12.616 -6.202 634 H ILE 79 H ILE 79 1.158 11.370 -2.712 635 HA ILE 79 HA ILE 79 0.978 8.687 -2.015 636 HB ILE 79 HB ILE 79 0.010 11.067 -0.429 637 1HG1 ILE 79 2HG1 ILE 79 2.630 9.551 -0.366 638 2HG1 ILE 79 1HG1 ILE 79 2.392 11.127 -1.117 639 1HG2 ILE 79 1HG2 ILE 79 0.655 8.260 0.478 640 2HG2 ILE 79 2HG2 ILE 79 -0.951 8.984 0.411 641 3HG2 ILE 79 3HG2 ILE 79 0.253 9.618 1.533 642 1HD1 ILE 79 1HD1 ILE 79 1.845 12.076 1.068 643 2HD1 ILE 79 2HD1 ILE 79 3.449 11.341 1.051 644 3HD1 ILE 79 3HD1 ILE 79 2.100 10.499 1.814 645 HA PRO 80 HA PRO 80 -3.896 9.140 -1.598 646 1HB PRO 80 2HB PRO 80 -4.870 11.115 -3.302 647 2HB PRO 80 1HB PRO 80 -4.757 11.237 -1.546 648 1HG PRO 80 2HG PRO 80 -2.921 12.294 -3.641 649 2HG PRO 80 1HG PRO 80 -3.404 13.021 -2.098 650 1HD PRO 80 2HD PRO 80 -1.002 11.876 -2.422 651 2HD PRO 80 1HD PRO 80 -1.884 11.757 -0.886 652 H ILE 81 H ILE 81 -2.136 9.960 -4.535 653 HA ILE 81 HA ILE 81 -3.954 8.673 -6.325 654 HB ILE 81 HB ILE 81 -1.041 9.360 -6.786 655 1HG1 ILE 81 2HG1 ILE 81 -3.531 10.963 -7.423 656 2HG1 ILE 81 1HG1 ILE 81 -2.405 11.320 -6.118 657 1HG2 ILE 81 1HG2 ILE 81 -1.631 9.314 -9.156 658 2HG2 ILE 81 2HG2 ILE 81 -3.279 8.844 -8.741 659 3HG2 ILE 81 3HG2 ILE 81 -1.937 7.753 -8.395 660 1HD1 ILE 81 1HD1 ILE 81 -1.752 11.343 -9.053 661 2HD1 ILE 81 2HD1 ILE 81 -0.637 11.719 -7.741 662 3HD1 ILE 81 3HD1 ILE 81 -2.030 12.759 -8.040 663 H LEU 82 H LEU 82 -0.948 7.719 -4.718 664 HA LEU 82 HA LEU 82 -0.567 5.236 -5.956 665 1HB LEU 82 2HB LEU 82 0.078 6.021 -3.108 666 2HB LEU 82 1HB LEU 82 0.752 4.649 -3.967 667 HG LEU 82 HG LEU 82 1.173 7.542 -4.726 668 1HD1 LEU 82 1HD1 LEU 82 2.279 7.025 -2.634 669 2HD1 LEU 82 2HD1 LEU 82 3.469 7.180 -3.927 670 3HD1 LEU 82 3HD1 LEU 82 3.001 5.582 -3.346 671 1HD2 LEU 82 1HD2 LEU 82 2.416 5.007 -5.789 672 2HD2 LEU 82 2HD2 LEU 82 2.867 6.650 -6.248 673 3HD2 LEU 82 3HD2 LEU 82 1.261 6.034 -6.639 674 H TRP 83 H TRP 83 -2.387 6.106 -3.037 675 HA TRP 83 HA TRP 83 -3.282 3.454 -2.516 676 1HB TRP 83 2HB TRP 83 -3.234 5.228 -0.777 677 2HB TRP 83 1HB TRP 83 -4.539 6.059 -1.623 678 HD1 TRP 83 HD TRP 83 -6.887 5.506 -0.726 679 HE1 TRP 83 1HE TRP 83 -7.943 3.574 0.608 680 HE3 TRP 83 3HE TRP 83 -2.846 2.404 -0.468 681 HZ2 TRP 83 2HZ TRP 83 -7.152 1.056 1.636 682 HZ3 TRP 83 3HZ TRP 83 -3.079 0.258 0.693 683 HH2 TRP 83 HH TRP 83 -5.190 -0.396 1.724 684 H LYS 84 H LYS 84 -4.507 6.143 -4.395 685 HA LYS 84 HA LYS 84 -7.113 5.326 -4.898 686 1HB LYS 84 2HB LYS 84 -6.079 7.493 -5.585 687 2HB LYS 84 1HB LYS 84 -5.221 6.642 -6.858 688 1HG LYS 84 2HG LYS 84 -7.371 6.019 -7.869 689 2HG LYS 84 1HG LYS 84 -8.210 6.924 -6.606 690 1HD LYS 84 2HD LYS 84 -7.004 8.964 -7.330 691 2HD LYS 84 1HD LYS 84 -6.286 8.038 -8.648 692 1HE LYS 84 2HE LYS 84 -9.240 8.456 -8.220 693 2HE LYS 84 1HE LYS 84 -8.245 9.363 -9.357 694 1HZ LYS 84 1HZ LYS 84 -9.473 7.548 -10.410 695 2HZ LYS 84 2HZ LYS 84 -8.670 6.423 -9.433 696 3HZ LYS 84 3HZ LYS 84 -7.797 7.338 -10.566 697 H SER 85 H SER 85 -4.115 4.440 -6.556 698 HA SER 85 HA SER 85 -5.246 2.805 -8.527 699 1HB SER 85 2HB SER 85 -2.526 2.575 -7.220 700 2HB SER 85 1HB SER 85 -2.991 1.881 -8.775 701 HG SER 85 HG SER 85 -1.936 4.206 -8.431 702 H ALA 86 H ALA 86 -4.067 2.015 -5.268 703 HA ALA 86 HA ALA 86 -4.599 -0.774 -5.459 704 1HB ALA 86 1HB ALA 86 -4.253 -0.825 -3.055 705 2HB ALA 86 2HB ALA 86 -4.364 0.932 -2.979 706 3HB ALA 86 3HB ALA 86 -3.017 0.169 -3.825 707 H TRP 87 H TRP 87 -6.415 1.994 -4.274 708 HA TRP 87 HA TRP 87 -8.625 0.636 -3.206 709 1HB TRP 87 2HB TRP 87 -8.110 3.054 -2.877 710 2HB TRP 87 1HB TRP 87 -8.584 3.354 -4.540 711 HD1 TRP 87 HD TRP 87 -10.979 4.094 -4.843 712 HE1 TRP 87 1HE TRP 87 -13.152 3.985 -3.465 713 HE3 TRP 87 3HE TRP 87 -9.286 1.320 -0.903 714 HZ2 TRP 87 2HZ TRP 87 -14.026 2.863 -1.026 715 HZ3 TRP 87 3HZ TRP 87 -10.851 0.772 0.914 716 HH2 TRP 87 HH TRP 87 -13.172 1.530 0.851 717 H THR 88 H THR 88 -7.797 1.559 -6.477 718 HA THR 88 HA THR 88 -10.228 1.170 -7.772 719 HB THR 88 HB THR 88 -7.486 0.479 -8.852 720 HG1 THR 88 1HG THR 88 -7.705 2.668 -8.009 721 1HG2 THR 88 1HG2 THR 88 -9.341 -0.344 -10.237 722 2HG2 THR 88 2HG2 THR 88 -8.469 0.963 -11.037 723 3HG2 THR 88 3HG2 THR 88 -10.028 1.279 -10.273 724 H LEU 89 H LEU 89 -7.664 -1.169 -7.019 725 HA LEU 89 HA LEU 89 -8.925 -3.423 -8.171 726 1HB LEU 89 2HB LEU 89 -6.919 -3.323 -5.911 727 2HB LEU 89 1HB LEU 89 -7.337 -4.745 -6.845 728 HG LEU 89 HG LEU 89 -5.908 -2.288 -7.873 729 1HD1 LEU 89 1HD1 LEU 89 -4.040 -3.841 -8.170 730 2HD1 LEU 89 2HD1 LEU 89 -4.998 -5.126 -7.434 731 3HD1 LEU 89 3HD1 LEU 89 -4.525 -3.721 -6.480 732 1HD2 LEU 89 1HD2 LEU 89 -5.704 -3.498 -9.973 733 2HD2 LEU 89 2HD2 LEU 89 -7.403 -3.247 -9.570 734 3HD2 LEU 89 3HD2 LEU 89 -6.662 -4.826 -9.319 735 H HIS 90 H HIS 90 -9.071 -1.927 -5.013 736 HA HIS 90 HA HIS 90 -10.390 -4.045 -3.667 737 1HB HIS 90 2HB HIS 90 -9.152 -2.175 -2.550 738 2HB HIS 90 1HB HIS 90 -10.458 -1.088 -3.005 739 HD1 HIS 90 1HD HIS 90 -9.388 -3.374 -0.370 740 HD2 HIS 90 2HD HIS 90 -12.989 -1.755 -1.697 741 HE1 HIS 90 1HE HIS 90 -11.029 -3.721 1.508 742 HE2 HIS 90 2HE HIS 90 -13.228 -2.835 0.644 743 H VAL 91 H VAL 91 -11.533 -1.263 -5.505 744 HA VAL 91 HA VAL 91 -14.270 -1.541 -4.738 745 HB VAL 91 HB VAL 91 -13.067 -0.056 -7.084 746 1HG1 VAL 91 1HG1 VAL 91 -15.840 0.085 -5.901 747 2HG1 VAL 91 2HG1 VAL 91 -15.412 -0.545 -7.492 748 3HG1 VAL 91 3HG1 VAL 91 -15.200 1.169 -7.136 749 1HG2 VAL 91 1HG2 VAL 91 -12.303 0.760 -4.905 750 2HG2 VAL 91 2HG2 VAL 91 -13.978 0.926 -4.380 751 3HG2 VAL 91 3HG2 VAL 91 -13.362 1.930 -5.692 752 H GLU 92 H GLU 92 -12.387 -2.581 -7.570 753 HA GLU 92 HA GLU 92 -14.789 -3.806 -8.678 754 1HB GLU 92 2HB GLU 92 -13.505 -4.156 -10.706 755 2HB GLU 92 1HB GLU 92 -13.399 -2.482 -10.190 756 1HG GLU 92 2HG GLU 92 -11.168 -2.920 -9.275 757 2HG GLU 92 1HG GLU 92 -11.279 -4.591 -9.832 758 H GLY 93 H GLY 93 -13.763 -4.908 -6.300 759 1HA GLY 93 2HA GLY 93 -12.362 -7.337 -6.855 760 2HA GLY 93 1HA GLY 93 -13.228 -6.948 -5.375 761 H PHE 94 H PHE 94 -13.631 -8.033 -8.687 762 HA PHE 94 HA PHE 94 -16.383 -8.804 -8.295 763 1HB PHE 94 2HB PHE 94 -14.505 -9.309 -10.609 764 2HB PHE 94 1HB PHE 94 -16.238 -9.607 -10.613 765 HD1 PHE 94 1HD PHE 94 -17.520 -7.345 -9.611 766 HD2 PHE 94 2HD PHE 94 -13.919 -7.502 -11.871 767 HE1 PHE 94 1HE PHE 94 -17.919 -5.052 -10.403 768 HE2 PHE 94 2HE PHE 94 -14.307 -5.203 -12.657 769 HZ PHE 94 HZ PHE 94 -16.311 -3.978 -11.925 770 H HIS 95 H HIS 95 -14.543 -10.090 -6.550 771 HA HIS 95 HA HIS 95 -14.213 -12.109 -5.586 772 1HB HIS 95 2HB HIS 95 -16.608 -12.487 -6.290 773 2HB HIS 95 1HB HIS 95 -15.992 -13.283 -7.733 774 HD1 HIS 95 1HD HIS 95 -16.086 -13.671 -3.982 775 HD2 HIS 95 2HD HIS 95 -15.240 -15.904 -7.390 776 HE1 HIS 95 1HE HIS 95 -15.870 -16.054 -3.198 777 HE2 HIS 95 2HE HIS 95 -15.189 -17.349 -5.247 778 H GLU 96 H GLU 96 -12.111 -12.379 -5.904 779 HA GLU 96 HA GLU 96 -10.155 -13.208 -6.658 780 1HB GLU 96 2HB GLU 96 -12.056 -14.873 -8.224 781 2HB GLU 96 1HB GLU 96 -10.389 -14.816 -8.779 782 1HG GLU 96 2HG GLU 96 -10.782 -16.716 -7.313 783 2HG GLU 96 1HG GLU 96 -9.613 -15.594 -6.621 784 H LEU 97 H LEU 97 -8.629 -12.298 -7.843 785 HA LEU 97 HA LEU 97 -9.441 -10.235 -9.669 786 1HB LEU 97 2HB LEU 97 -6.743 -11.062 -8.603 787 2HB LEU 97 1HB LEU 97 -6.947 -9.777 -9.775 788 HG LEU 97 HG LEU 97 -6.705 -8.751 -7.655 789 1HD1 LEU 97 1HD1 LEU 97 -8.373 -7.720 -9.059 790 2HD1 LEU 97 2HD1 LEU 97 -8.836 -7.582 -7.363 791 3HD1 LEU 97 3HD1 LEU 97 -9.621 -8.776 -8.397 792 1HD2 LEU 97 1HD2 LEU 97 -8.131 -9.257 -5.733 793 2HD2 LEU 97 2HD2 LEU 97 -7.182 -10.658 -6.232 794 3HD2 LEU 97 3HD2 LEU 97 -8.893 -10.560 -6.646 795 H SER 98 H SER 98 -10.182 -11.186 -11.477 796 HA SER 98 HA SER 98 -8.478 -13.021 -12.974 797 1HB SER 98 2HB SER 98 -11.201 -11.904 -13.700 798 2HB SER 98 1HB SER 98 -10.394 -13.291 -14.434 799 HG SER 98 HG SER 98 -10.430 -14.134 -12.148 800 H LEU 99 H LEU 99 -7.145 -10.744 -12.757 801 HA LEU 99 HA LEU 99 -7.812 -9.003 -15.016 802 1HB LEU 99 2HB LEU 99 -5.865 -8.619 -12.741 803 2HB LEU 99 1HB LEU 99 -6.181 -7.446 -14.005 804 HG LEU 99 HG LEU 99 -8.198 -8.414 -11.978 805 1HD1 LEU 99 1HD1 LEU 99 -6.466 -7.007 -10.988 806 2HD1 LEU 99 2HD1 LEU 99 -8.016 -6.167 -11.044 807 3HD1 LEU 99 3HD1 LEU 99 -6.758 -5.776 -12.217 808 1HD2 LEU 99 1HD2 LEU 99 -9.248 -7.842 -14.095 809 2HD2 LEU 99 2HD2 LEU 99 -8.398 -6.296 -14.117 810 3HD2 LEU 99 3HD2 LEU 99 -9.610 -6.619 -12.877 811 H ASN 100 H ASN 100 -5.925 -8.083 -16.210 812 HA ASN 100 HA ASN 100 -4.078 -10.232 -16.948 813 1HB ASN 100 2HB ASN 100 -5.036 -7.769 -18.409 814 2HB ASN 100 1HB ASN 100 -3.645 -8.695 -18.961 815 1HD2 ASN 100 1HD2 ASN 100 -4.653 -9.248 -20.876 816 2HD2 ASN 100 2HD2 ASN 100 -5.931 -10.417 -20.949 817 H GLU 101 H GLU 101 -1.936 -9.087 -17.948 818 HA GLU 101 HA GLU 101 -0.507 -8.377 -15.611 819 1HB GLU 101 2HB GLU 101 0.189 -8.494 -18.522 820 2HB GLU 101 1HB GLU 101 1.336 -7.886 -17.343 821 1HG GLU 101 2HG GLU 101 1.087 -10.055 -16.118 822 2HG GLU 101 1HG GLU 101 0.146 -10.636 -17.492 823 H LYS 102 H LYS 102 -2.080 -6.444 -18.000 824 HA LYS 102 HA LYS 102 -0.482 -4.190 -18.059 825 1HB LYS 102 2HB LYS 102 -2.402 -4.727 -19.557 826 2HB LYS 102 1HB LYS 102 -3.488 -4.268 -18.257 827 1HG LYS 102 2HG LYS 102 -2.752 -2.041 -18.303 828 2HG LYS 102 1HG LYS 102 -1.412 -2.424 -19.379 829 1HD LYS 102 2HD LYS 102 -3.021 -3.018 -21.140 830 2HD LYS 102 1HD LYS 102 -4.349 -2.583 -20.061 831 1HE LYS 102 2HE LYS 102 -3.726 -0.303 -20.056 832 2HE LYS 102 1HE LYS 102 -2.164 -0.652 -20.796 833 1HZ LYS 102 1HZ LYS 102 -3.839 0.305 -22.333 834 2HZ LYS 102 2HZ LYS 102 -4.769 -1.104 -22.148 835 3HZ LYS 102 3HZ LYS 102 -3.220 -1.191 -22.838 836 H GLU 103 H GLU 103 -3.239 -4.899 -15.927 837 HA GLU 103 HA GLU 103 -2.977 -2.499 -14.430 838 1HB GLU 103 2HB GLU 103 -4.393 -5.099 -13.855 839 2HB GLU 103 1HB GLU 103 -4.460 -3.707 -12.793 840 1HG GLU 103 2HG GLU 103 -5.472 -3.893 -15.611 841 2HG GLU 103 1HG GLU 103 -6.426 -3.727 -14.138 842 H VAL 104 H VAL 104 -1.740 -5.767 -14.091 843 HA VAL 104 HA VAL 104 -0.762 -5.613 -11.470 844 HB VAL 104 HB VAL 104 0.370 -7.200 -13.786 845 1HG1 VAL 104 1HG1 VAL 104 1.320 -8.665 -12.074 846 2HG1 VAL 104 2HG1 VAL 104 0.713 -7.593 -10.813 847 3HG1 VAL 104 3HG1 VAL 104 1.952 -7.024 -11.932 848 1HG2 VAL 104 1HG2 VAL 104 -1.994 -7.674 -13.376 849 2HG2 VAL 104 2HG2 VAL 104 -1.638 -7.996 -11.679 850 3HG2 VAL 104 3HG2 VAL 104 -0.978 -9.044 -12.934 851 H LYS 105 H LYS 105 0.904 -5.002 -14.563 852 HA LYS 105 HA LYS 105 3.391 -4.281 -13.486 853 1HB LYS 105 2HB LYS 105 2.099 -3.295 -16.039 854 2HB LYS 105 1HB LYS 105 3.805 -3.149 -15.639 855 1HG LYS 105 2HG LYS 105 4.038 -5.570 -15.672 856 2HG LYS 105 1HG LYS 105 2.312 -5.743 -16.010 857 1HD LYS 105 2HD LYS 105 2.657 -4.414 -18.088 858 2HD LYS 105 1HD LYS 105 4.391 -4.438 -17.766 859 1HE LYS 105 2HE LYS 105 2.664 -6.885 -18.139 860 2HE LYS 105 1HE LYS 105 3.660 -6.156 -19.398 861 1HZ LYS 105 1HZ LYS 105 5.622 -6.589 -18.034 862 2HZ LYS 105 2HZ LYS 105 4.779 -8.020 -18.377 863 3HZ LYS 105 3HZ LYS 105 4.650 -7.312 -16.846 864 H LYS 106 H LYS 106 0.540 -2.346 -14.244 865 HA LYS 106 HA LYS 106 1.673 0.176 -13.701 866 1HB LYS 106 2HB LYS 106 -0.382 -0.082 -14.989 867 2HB LYS 106 1HB LYS 106 -1.207 -0.736 -13.581 868 1HG LYS 106 2HG LYS 106 -0.929 1.413 -12.434 869 2HG LYS 106 1HG LYS 106 -0.134 2.064 -13.868 870 1HD LYS 106 2HD LYS 106 -2.504 2.709 -13.745 871 2HD LYS 106 1HD LYS 106 -2.156 1.730 -15.171 872 1HE LYS 106 2HE LYS 106 -3.068 -0.232 -14.097 873 2HE LYS 106 1HE LYS 106 -3.306 0.661 -12.595 874 1HZ LYS 106 1HZ LYS 106 -4.987 1.965 -13.584 875 2HZ LYS 106 2HZ LYS 106 -5.331 0.357 -14.015 876 3HZ LYS 106 3HZ LYS 106 -4.626 1.411 -15.145 877 H LEU 107 H LEU 107 -0.341 -1.966 -11.691 878 HA LEU 107 HA LEU 107 -0.373 -0.310 -9.424 879 1HB LEU 107 2HB LEU 107 -1.080 -3.094 -10.041 880 2HB LEU 107 1HB LEU 107 -0.613 -2.820 -8.374 881 HG LEU 107 HG LEU 107 -3.049 -2.670 -8.684 882 1HD1 LEU 107 1HD1 LEU 107 -3.374 -0.518 -7.565 883 2HD1 LEU 107 2HD1 LEU 107 -1.727 -0.053 -7.991 884 3HD1 LEU 107 3HD1 LEU 107 -2.006 -1.407 -6.896 885 1HD2 LEU 107 1HD2 LEU 107 -3.105 -1.845 -10.974 886 2HD2 LEU 107 2HD2 LEU 107 -2.397 -0.315 -10.455 887 3HD2 LEU 107 3HD2 LEU 107 -4.009 -0.772 -9.903 888 H LYS 108 H LYS 108 1.893 -2.826 -10.444 889 HA LYS 108 HA LYS 108 3.366 -2.972 -8.068 890 1HB LYS 108 2HB LYS 108 4.052 -3.545 -10.927 891 2HB LYS 108 1HB LYS 108 5.288 -3.631 -9.681 892 1HG LYS 108 2HG LYS 108 3.865 -5.259 -8.460 893 2HG LYS 108 1HG LYS 108 2.754 -5.245 -9.830 894 1HD LYS 108 2HD LYS 108 4.343 -7.145 -9.882 895 2HD LYS 108 1HD LYS 108 4.474 -6.093 -11.292 896 1HE LYS 108 2HE LYS 108 6.421 -5.007 -10.338 897 2HE LYS 108 1HE LYS 108 6.260 -5.961 -8.865 898 1HZ LYS 108 1HZ LYS 108 6.596 -7.283 -11.481 899 2HZ LYS 108 2HZ LYS 108 6.952 -7.883 -9.925 900 3HZ LYS 108 3HZ LYS 108 7.939 -6.696 -10.634 901 H GLU 109 H GLU 109 3.603 -0.716 -10.787 902 HA GLU 109 HA GLU 109 5.994 0.520 -9.858 903 1HB GLU 109 2HB GLU 109 5.294 0.755 -12.189 904 2HB GLU 109 1HB GLU 109 3.847 1.619 -11.683 905 1HG GLU 109 2HG GLU 109 5.147 3.461 -10.881 906 2HG GLU 109 1HG GLU 109 6.649 2.580 -11.152 907 H ASP 110 H ASP 110 2.557 1.313 -9.536 908 HA ASP 110 HA ASP 110 2.820 3.644 -8.019 909 1HB ASP 110 2HB ASP 110 0.669 1.598 -8.363 910 2HB ASP 110 1HB ASP 110 0.506 2.768 -7.060 911 H VAL 111 H VAL 111 2.389 0.286 -6.915 912 HA VAL 111 HA VAL 111 2.595 0.820 -4.168 913 HB VAL 111 HB VAL 111 3.303 -1.703 -5.686 914 1HG1 VAL 111 1HG1 VAL 111 2.867 -1.324 -2.724 915 2HG1 VAL 111 2HG1 VAL 111 4.403 -1.690 -3.508 916 3HG1 VAL 111 3HG1 VAL 111 3.095 -2.871 -3.545 917 1HG2 VAL 111 1HG2 VAL 111 0.980 -1.067 -5.939 918 2HG2 VAL 111 2HG2 VAL 111 0.811 -0.894 -4.192 919 3HG2 VAL 111 3HG2 VAL 111 1.107 -2.483 -4.897 920 H ARG 112 H ARG 112 5.083 0.091 -6.584 921 HA ARG 112 HA ARG 112 7.281 -0.144 -4.883 922 1HB ARG 112 2HB ARG 112 7.395 -0.738 -7.241 923 2HB ARG 112 1HB ARG 112 7.146 0.941 -7.703 924 1HG ARG 112 2HG ARG 112 9.278 1.550 -6.717 925 2HG ARG 112 1HG ARG 112 9.525 -0.115 -6.188 926 1HD ARG 112 2HD ARG 112 10.766 0.434 -8.247 927 2HD ARG 112 1HD ARG 112 9.604 -0.870 -8.479 928 HE ARG 112 HE ARG 112 8.117 0.926 -9.439 929 1HH1 ARG 112 1HH1 ARG 112 11.605 1.195 -9.528 930 2HH1 ARG 112 2HH1 ARG 112 11.620 2.160 -10.979 931 1HH2 ARG 112 1HH2 ARG 112 8.136 2.169 -11.373 932 2HH2 ARG 112 2HH2 ARG 112 9.648 2.709 -12.029 933 H LYS 113 H LYS 113 5.900 2.740 -6.429 934 HA LYS 113 HA LYS 113 7.781 4.603 -5.508 935 1HB LYS 113 2HB LYS 113 4.880 4.863 -6.286 936 2HB LYS 113 1HB LYS 113 5.868 6.245 -5.852 937 1HG LYS 113 2HG LYS 113 6.652 4.349 -8.041 938 2HG LYS 113 1HG LYS 113 5.605 5.741 -8.321 939 1HD LYS 113 2HD LYS 113 8.348 5.915 -7.085 940 2HD LYS 113 1HD LYS 113 8.021 6.156 -8.803 941 1HE LYS 113 2HE LYS 113 6.800 7.758 -6.554 942 2HE LYS 113 1HE LYS 113 8.158 8.284 -7.551 943 1HZ LYS 113 1HZ LYS 113 6.781 8.336 -9.464 944 2HZ LYS 113 2HZ LYS 113 5.933 9.157 -8.239 945 3HZ LYS 113 3HZ LYS 113 5.496 7.574 -8.663 946 H LEU 114 H LEU 114 4.944 3.210 -3.997 947 HA LEU 114 HA LEU 114 4.885 5.011 -1.784 948 1HB LEU 114 2HB LEU 114 2.867 3.961 -2.548 949 2HB LEU 114 1HB LEU 114 3.572 2.369 -2.383 950 HG LEU 114 HG LEU 114 3.667 2.670 0.032 951 1HD1 LEU 114 1HD1 LEU 114 3.823 5.104 0.113 952 2HD1 LEU 114 2HD1 LEU 114 2.482 4.522 1.100 953 3HD1 LEU 114 3HD1 LEU 114 2.166 5.233 -0.482 954 1HD2 LEU 114 1HD2 LEU 114 1.234 2.508 0.442 955 2HD2 LEU 114 2HD2 LEU 114 1.770 1.524 -0.918 956 3HD2 LEU 114 3HD2 LEU 114 0.949 3.058 -1.208 957 H VAL 115 H VAL 115 5.937 1.670 -2.329 958 HA VAL 115 HA VAL 115 6.733 1.127 0.296 959 HB VAL 115 HB VAL 115 7.739 -0.077 -2.285 960 1HG1 VAL 115 1HG1 VAL 115 8.109 -1.074 0.540 961 2HG1 VAL 115 2HG1 VAL 115 9.375 -0.402 -0.487 962 3HG1 VAL 115 3HG1 VAL 115 8.594 -1.921 -0.929 963 1HG2 VAL 115 1HG2 VAL 115 5.368 -0.428 -1.896 964 2HG2 VAL 115 2HG2 VAL 115 5.704 -1.024 -0.271 965 3HG2 VAL 115 3HG2 VAL 115 6.252 -1.938 -1.678 966 H ILE 116 H ILE 116 8.714 2.240 -2.463 967 HA ILE 116 HA ILE 116 11.128 2.418 -1.044 968 HB ILE 116 HB ILE 116 10.192 4.105 -3.376 969 1HG1 ILE 116 2HG1 ILE 116 11.927 1.623 -3.282 970 2HG1 ILE 116 1HG1 ILE 116 10.264 1.691 -3.853 971 1HG2 ILE 116 1HG2 ILE 116 12.003 5.221 -2.221 972 2HG2 ILE 116 2HG2 ILE 116 12.585 4.569 -3.753 973 3HG2 ILE 116 3HG2 ILE 116 12.963 3.743 -2.241 974 1HD1 ILE 116 1HD1 ILE 116 12.606 3.109 -5.097 975 2HD1 ILE 116 2HD1 ILE 116 10.938 3.162 -5.669 976 3HD1 ILE 116 3HD1 ILE 116 11.835 1.643 -5.704 977 H PHE 117 H PHE 117 8.367 4.554 -1.214 978 HA PHE 117 HA PHE 117 9.678 6.856 -0.159 979 1HB PHE 117 2HB PHE 117 7.514 6.845 -1.463 980 2HB PHE 117 1HB PHE 117 6.728 6.217 -0.022 981 HD1 PHE 117 1HD PHE 117 8.473 9.116 -1.463 982 HD2 PHE 117 2HD PHE 117 6.182 7.641 1.808 983 HE1 PHE 117 1HE PHE 117 8.143 11.418 -0.659 984 HE2 PHE 117 2HE PHE 117 5.848 9.940 2.615 985 HZ PHE 117 HZ PHE 117 6.829 11.832 1.382 986 H ALA 118 H ALA 118 7.770 4.237 1.200 987 HA ALA 118 HA ALA 118 7.803 5.215 3.871 988 1HB ALA 118 1HB ALA 118 6.076 3.686 3.040 989 2HB ALA 118 2HB ALA 118 6.886 3.046 4.471 990 3HB ALA 118 3HB ALA 118 7.288 2.417 2.873 991 H VAL 119 H VAL 119 9.612 2.587 2.242 992 HA VAL 119 HA VAL 119 11.072 1.808 4.509 993 HB VAL 119 HB VAL 119 11.877 1.519 1.607 994 1HG1 VAL 119 1HG1 VAL 119 13.753 1.171 3.147 995 2HG1 VAL 119 2HG1 VAL 119 13.263 -0.345 2.387 996 3HG1 VAL 119 3HG1 VAL 119 12.793 0.000 4.051 997 1HG2 VAL 119 1HG2 VAL 119 10.890 -0.706 1.753 998 2HG2 VAL 119 2HG2 VAL 119 9.683 0.535 2.089 999 3HG2 VAL 119 3HG2 VAL 119 10.390 -0.387 3.414 1000 H ASN 120 H ASN 120 11.816 4.148 1.959 1001 HA ASN 120 HA ASN 120 14.462 4.721 2.803 1002 1HB ASN 120 2HB ASN 120 13.461 5.270 0.549 1003 2HB ASN 120 1HB ASN 120 12.601 6.592 1.330 1004 1HD2 ASN 120 1HD2 ASN 120 15.599 5.457 0.107 1005 2HD2 ASN 120 2HD2 ASN 120 16.484 6.930 0.328 1006 H SER 121 H SER 121 11.335 5.823 3.864 1007 HA SER 121 HA SER 121 12.132 8.156 5.242 1008 1HB SER 121 2HB SER 121 9.765 7.621 4.759 1009 2HB SER 121 1HB SER 121 9.850 6.253 5.865 1010 HG SER 121 HG SER 121 9.274 7.637 7.339 1011 H LEU 122 H LEU 122 11.888 4.762 6.194 1012 HA LEU 122 HA LEU 122 12.833 5.305 8.858 1013 1HB LEU 122 2HB LEU 122 12.176 2.753 7.413 1014 2HB LEU 122 1HB LEU 122 12.867 2.767 9.022 1015 HG LEU 122 HG LEU 122 10.852 4.153 9.729 1016 1HD1 LEU 122 1HD1 LEU 122 10.126 4.830 7.494 1017 2HD1 LEU 122 2HD1 LEU 122 8.854 3.980 8.370 1018 3HD1 LEU 122 3HD1 LEU 122 9.762 3.149 7.107 1019 1HD2 LEU 122 1HD2 LEU 122 9.435 2.175 9.958 1020 2HD2 LEU 122 2HD2 LEU 122 11.126 1.813 10.310 1021 3HD2 LEU 122 3HD2 LEU 122 10.425 1.334 8.764 1022 H GLU 123 H GLU 123 14.047 3.264 6.217 1023 HA GLU 123 HA GLU 123 15.984 2.094 6.098 1024 1HB GLU 123 2HB GLU 123 16.605 4.980 6.067 1025 2HB GLU 123 1HB GLU 123 17.953 3.840 6.088 1026 1HG GLU 123 2HG GLU 123 15.671 3.796 4.136 1027 2HG GLU 123 1HG GLU 123 17.271 4.429 3.824 1028 H HIS 124 H HIS 124 15.271 1.405 8.419 1029 HA HIS 124 HA HIS 124 17.176 2.172 10.458 1030 1HB HIS 124 2HB HIS 124 14.704 1.598 10.853 1031 2HB HIS 124 1HB HIS 124 15.176 -0.081 10.623 1032 HD1 HIS 124 1HD HIS 124 16.359 -1.244 12.551 1033 HD2 HIS 124 2HD HIS 124 15.689 2.805 13.216 1034 HE1 HIS 124 1HE HIS 124 16.844 -0.867 14.988 1035 HE2 HIS 124 2HE HIS 124 16.184 1.528 15.407 1036 H HIS 125 H HIS 125 19.019 1.517 9.196 1037 HA HIS 125 HA HIS 125 20.745 0.151 8.667 1038 1HB HIS 125 2HB HIS 125 20.574 -0.463 11.050 1039 2HB HIS 125 1HB HIS 125 19.432 -1.733 10.644 1040 HD1 HIS 125 1HD HIS 125 23.024 -0.836 9.610 1041 HD2 HIS 125 2HD HIS 125 20.635 -4.129 10.505 1042 HE1 HIS 125 1HE HIS 125 24.537 -2.838 9.465 1043 HE2 HIS 125 2HE HIS 125 23.111 -4.798 10.167 1044 H HIS 126 H HIS 126 18.660 0.177 6.864 1045 HA HIS 126 HA HIS 126 18.377 -2.602 5.987 1046 1HB HIS 126 2HB HIS 126 16.371 -1.159 5.879 1047 2HB HIS 126 1HB HIS 126 17.222 -0.066 4.795 1048 HD1 HIS 126 1HD HIS 126 16.927 -0.505 2.356 1049 HD2 HIS 126 2HD HIS 126 16.057 -3.852 4.683 1050 HE1 HIS 126 1HE HIS 126 16.039 -2.240 0.757 1051 HE2 HIS 126 2HE HIS 126 15.491 -4.248 2.183 1052 H HIS 127 H HIS 127 19.073 0.445 4.269 1053 HA HIS 127 HA HIS 127 21.715 -0.383 3.567 1054 1HB HIS 127 2HB HIS 127 20.303 -1.705 1.933 1055 2HB HIS 127 1HB HIS 127 19.765 -0.169 1.261 1056 HD1 HIS 127 1HD HIS 127 22.923 -2.196 1.729 1057 HD2 HIS 127 2HD HIS 127 21.466 0.927 -0.604 1058 HE1 HIS 127 1HE HIS 127 24.701 -1.751 0.005 1059 HE2 HIS 127 2HE HIS 127 23.719 0.014 -1.505 1060 H HIS 128 H HIS 128 21.659 1.649 4.820 1061 HA HIS 128 HA HIS 128 20.626 4.056 3.809 1062 1HB HIS 128 2HB HIS 128 21.364 3.668 6.163 1063 2HB HIS 128 1HB HIS 128 23.033 3.678 5.608 1064 HD1 HIS 128 1HD HIS 128 24.148 5.936 5.301 1065 HD2 HIS 128 2HD HIS 128 20.063 6.202 6.050 1066 HE1 HIS 128 1HE HIS 128 23.686 8.374 5.700 1067 HE2 HIS 128 2HE HIS 128 21.269 8.465 6.388 1068 H HIS 129 H HIS 129 23.978 2.895 3.850 1069 HA HIS 129 HA HIS 129 24.601 3.319 1.196 1070 1HB HIS 129 2HB HIS 129 24.217 5.748 1.739 1071 2HB HIS 129 1HB HIS 129 25.544 5.653 2.892 1072 HD1 HIS 129 1HD HIS 129 27.942 5.614 1.945 1073 HD2 HIS 129 2HD HIS 129 24.978 5.742 -0.975 1074 HE1 HIS 129 1HE HIS 129 29.129 6.150 -0.205 1075 HE2 HIS 129 2HE HIS 129 27.316 6.305 -1.947 Start of MODEL 4 1 1H MET 1 1HT MET 1 11.363 -5.926 12.762 2 2H MET 1 2HT MET 1 12.748 -5.529 11.862 3 3H MET 1 3HT MET 1 11.252 -4.832 11.470 4 HA MET 1 HA MET 1 11.192 -3.627 13.509 5 1HB MET 1 2HB MET 1 12.373 -5.353 14.851 6 2HB MET 1 1HB MET 1 13.884 -4.895 14.075 7 1HG MET 1 2HG MET 1 13.693 -2.656 15.037 8 2HG MET 1 1HG MET 1 12.171 -3.114 15.804 9 1HE MET 1 1HE MET 1 13.363 -5.846 18.356 10 2HE MET 1 2HE MET 1 12.808 -6.120 16.703 11 3HE MET 1 3HE MET 1 11.985 -4.942 17.729 12 H SER 2 H SER 2 14.563 -4.092 12.402 13 HA SER 2 HA SER 2 14.637 -1.300 11.568 14 1HB SER 2 2HB SER 2 16.835 -3.387 11.502 15 2HB SER 2 1HB SER 2 17.034 -1.650 11.278 16 HG SER 2 HG SER 2 17.499 -1.897 13.364 17 H ILE 3 H ILE 3 14.822 -4.544 10.216 18 HA ILE 3 HA ILE 3 14.493 -3.403 7.521 19 HB ILE 3 HB ILE 3 15.819 -5.259 6.600 20 1HG1 ILE 3 2HG1 ILE 3 16.598 -5.832 9.467 21 2HG1 ILE 3 1HG1 ILE 3 15.481 -6.813 8.524 22 1HG2 ILE 3 1HG2 ILE 3 16.879 -3.106 6.955 23 2HG2 ILE 3 2HG2 ILE 3 18.029 -4.410 7.243 24 3HG2 ILE 3 3HG2 ILE 3 17.298 -3.561 8.605 25 1HD1 ILE 3 1HD1 ILE 3 18.380 -6.334 7.882 26 2HD1 ILE 3 2HD1 ILE 3 17.262 -7.329 6.947 27 3HD1 ILE 3 3HD1 ILE 3 17.697 -7.798 8.591 28 H SER 4 H SER 4 13.986 -5.412 6.021 29 HA SER 4 HA SER 4 12.377 -6.862 5.319 30 1HB SER 4 2HB SER 4 12.667 -7.963 8.124 31 2HB SER 4 1HB SER 4 12.048 -8.829 6.717 32 HG SER 4 HG SER 4 14.448 -7.771 6.143 33 H THR 5 H THR 5 11.323 -4.482 6.007 34 HA THR 5 HA THR 5 9.326 -4.518 7.994 35 HB THR 5 HB THR 5 9.205 -2.763 5.559 36 HG1 THR 5 1HG THR 5 10.912 -2.288 7.790 37 1HG2 THR 5 1HG2 THR 5 8.681 -2.272 8.494 38 2HG2 THR 5 2HG2 THR 5 7.453 -2.508 7.251 39 3HG2 THR 5 3HG2 THR 5 8.492 -1.084 7.204 40 H SER 6 H SER 6 7.002 -4.321 7.590 41 HA SER 6 HA SER 6 5.944 -6.577 6.415 42 1HB SER 6 2HB SER 6 3.752 -5.176 6.568 43 2HB SER 6 1HB SER 6 4.634 -5.568 8.047 44 HG SER 6 HG SER 6 3.930 -3.260 7.596 45 H ALA 7 H ALA 7 6.151 -3.306 5.054 46 HA ALA 7 HA ALA 7 4.709 -3.685 2.711 47 1HB ALA 7 1HB ALA 7 7.179 -1.993 3.076 48 2HB ALA 7 2HB ALA 7 5.532 -1.505 3.474 49 3HB ALA 7 3HB ALA 7 5.979 -1.819 1.798 50 H GLU 8 H GLU 8 8.193 -4.157 3.258 51 HA GLU 8 HA GLU 8 8.863 -5.160 0.741 52 1HB GLU 8 2HB GLU 8 10.046 -5.430 3.477 53 2HB GLU 8 1HB GLU 8 10.669 -6.433 2.176 54 1HG GLU 8 2HG GLU 8 10.508 -3.433 2.051 55 2HG GLU 8 1HG GLU 8 11.935 -4.330 2.568 56 H VAL 9 H VAL 9 7.795 -6.834 3.666 57 HA VAL 9 HA VAL 9 8.055 -9.462 2.799 58 HB VAL 9 HB VAL 9 5.999 -8.311 4.699 59 1HG1 VAL 9 1HG1 VAL 9 5.802 -10.582 5.588 60 2HG1 VAL 9 2HG1 VAL 9 6.877 -11.174 4.320 61 3HG1 VAL 9 3HG1 VAL 9 5.300 -10.505 3.898 62 1HG2 VAL 9 1HG2 VAL 9 8.692 -9.568 5.183 63 2HG2 VAL 9 2HG2 VAL 9 7.540 -9.106 6.436 64 3HG2 VAL 9 3HG2 VAL 9 8.263 -7.872 5.404 65 H TYR 10 H TYR 10 5.148 -7.380 2.618 66 HA TYR 10 HA TYR 10 3.566 -9.313 1.289 67 1HB TYR 10 2HB TYR 10 3.308 -6.310 1.461 68 2HB TYR 10 1HB TYR 10 2.114 -7.339 0.678 69 HD1 TYR 10 1HD TYR 10 1.448 -9.455 2.291 70 HD2 TYR 10 2HD TYR 10 2.767 -5.623 3.577 71 HE1 TYR 10 1HE TYR 10 0.307 -9.792 4.442 72 HE2 TYR 10 2HE TYR 10 1.634 -5.951 5.733 73 HH TYR 10 HH TYR 10 -0.244 -7.266 6.636 74 H TYR 11 H TYR 11 5.575 -6.650 0.094 75 HA TYR 11 HA TYR 11 4.800 -6.883 -2.608 76 1HB TYR 11 2HB TYR 11 5.897 -4.873 -1.797 77 2HB TYR 11 1HB TYR 11 7.350 -5.788 -1.403 78 HD1 TYR 11 1HD TYR 11 5.135 -5.229 -4.370 79 HD2 TYR 11 2HD TYR 11 9.103 -5.595 -2.885 80 HE1 TYR 11 1HE TYR 11 6.013 -4.816 -6.630 81 HE2 TYR 11 2HE TYR 11 9.991 -5.179 -5.137 82 HH TYR 11 HH TYR 11 9.225 -5.427 -7.475 83 H GLU 12 H GLU 12 7.412 -8.361 -0.743 84 HA GLU 12 HA GLU 12 8.752 -9.704 -2.802 85 1HB GLU 12 2HB GLU 12 9.612 -9.576 -0.516 86 2HB GLU 12 1HB GLU 12 8.262 -10.529 0.075 87 1HG GLU 12 2HG GLU 12 9.087 -12.412 -1.362 88 2HG GLU 12 1HG GLU 12 10.531 -11.445 -1.668 89 H GLU 13 H GLU 13 6.077 -10.877 -0.733 90 HA GLU 13 HA GLU 13 5.756 -13.353 -2.039 91 1HB GLU 13 2HB GLU 13 3.752 -11.685 -0.508 92 2HB GLU 13 1HB GLU 13 3.459 -13.334 -1.043 93 1HG GLU 13 2HG GLU 13 5.383 -14.077 0.301 94 2HG GLU 13 1HG GLU 13 5.575 -12.426 0.891 95 H ALA 14 H ALA 14 4.291 -10.184 -2.631 96 HA ALA 14 HA ALA 14 2.512 -10.930 -4.657 97 1HB ALA 14 1HB ALA 14 2.621 -8.591 -5.384 98 2HB ALA 14 2HB ALA 14 4.035 -8.344 -4.360 99 3HB ALA 14 3HB ALA 14 2.474 -8.721 -3.631 100 H GLU 15 H GLU 15 5.912 -9.929 -4.836 101 HA GLU 15 HA GLU 15 6.207 -10.214 -7.622 102 1HB GLU 15 2HB GLU 15 8.137 -10.244 -5.320 103 2HB GLU 15 1HB GLU 15 8.695 -10.526 -6.956 104 1HG GLU 15 2HG GLU 15 7.483 -8.327 -7.515 105 2HG GLU 15 1HG GLU 15 7.498 -8.060 -5.773 106 H GLU 16 H GLU 16 6.536 -12.497 -4.968 107 HA GLU 16 HA GLU 16 7.590 -14.641 -6.424 108 1HB GLU 16 2HB GLU 16 6.114 -14.362 -3.851 109 2HB GLU 16 1HB GLU 16 6.560 -15.939 -4.452 110 1HG GLU 16 2HG GLU 16 8.515 -13.706 -3.999 111 2HG GLU 16 1HG GLU 16 8.151 -14.953 -2.806 112 H PHE 17 H PHE 17 4.283 -13.647 -5.749 113 HA PHE 17 HA PHE 17 3.109 -15.942 -7.001 114 1HB PHE 17 2HB PHE 17 1.880 -13.260 -6.323 115 2HB PHE 17 1HB PHE 17 0.982 -14.669 -6.876 116 HD1 PHE 17 2HD PHE 17 2.340 -16.809 -5.322 117 HD2 PHE 17 1HD PHE 17 1.063 -12.911 -4.179 118 HE1 PHE 17 2HE PHE 17 2.115 -17.568 -2.990 119 HE2 PHE 17 1HE PHE 17 0.833 -13.663 -1.850 120 HZ PHE 17 HZ PHE 17 1.358 -15.993 -1.252 121 H LEU 18 H LEU 18 3.891 -12.666 -8.013 122 HA LEU 18 HA LEU 18 2.630 -12.712 -10.521 123 1HB LEU 18 2HB LEU 18 3.452 -10.670 -9.445 124 2HB LEU 18 1HB LEU 18 5.104 -11.216 -9.657 125 HG LEU 18 HG LEU 18 4.802 -11.109 -12.111 126 1HD1 LEU 18 1HD1 LEU 18 2.125 -9.912 -11.411 127 2HD1 LEU 18 2HD1 LEU 18 2.402 -11.455 -12.221 128 3HD1 LEU 18 3HD1 LEU 18 2.847 -9.948 -13.020 129 1HD2 LEU 18 1HD2 LEU 18 5.765 -9.223 -10.888 130 2HD2 LEU 18 2HD2 LEU 18 4.151 -8.548 -10.659 131 3HD2 LEU 18 3HD2 LEU 18 4.831 -8.677 -12.282 132 H SER 19 H SER 19 5.692 -13.988 -9.433 133 HA SER 19 HA SER 19 6.522 -14.605 -12.154 134 1HB SER 19 2HB SER 19 8.543 -15.596 -10.915 135 2HB SER 19 1HB SER 19 8.325 -13.847 -10.829 136 HG SER 19 HG SER 19 7.611 -14.021 -8.762 137 H LYS 20 H LYS 20 4.554 -15.963 -9.887 138 HA LYS 20 HA LYS 20 5.228 -18.728 -10.433 139 1HB LYS 20 2HB LYS 20 4.337 -18.025 -8.216 140 2HB LYS 20 1HB LYS 20 2.827 -17.580 -8.990 141 1HG LYS 20 2HG LYS 20 2.404 -19.866 -9.605 142 2HG LYS 20 1HG LYS 20 3.983 -20.360 -8.992 143 1HD LYS 20 2HD LYS 20 2.195 -20.912 -7.416 144 2HD LYS 20 1HD LYS 20 3.314 -19.732 -6.734 145 1HE LYS 20 2HE LYS 20 1.762 -17.936 -7.205 146 2HE LYS 20 1HE LYS 20 0.663 -19.059 -8.006 147 1HZ LYS 20 1HZ LYS 20 0.210 -20.139 -5.958 148 2HZ LYS 20 2HZ LYS 20 0.060 -18.477 -5.668 149 3HZ LYS 20 3HZ LYS 20 1.447 -19.305 -5.151 150 H GLY 21 H GLY 21 3.001 -16.275 -11.517 151 1HA GLY 21 2HA GLY 21 2.351 -16.581 -13.898 152 2HA GLY 21 1HA GLY 21 1.915 -18.223 -13.457 153 H ASP 22 H ASP 22 1.072 -16.140 -10.957 154 HA ASP 22 HA ASP 22 -1.662 -15.948 -12.038 155 1HB ASP 22 2HB ASP 22 -1.424 -17.542 -10.129 156 2HB ASP 22 1HB ASP 22 -0.909 -16.191 -9.118 157 H LEU 23 H LEU 23 -2.741 -14.062 -11.875 158 HA LEU 23 HA LEU 23 -1.098 -11.723 -11.271 159 1HB LEU 23 2HB LEU 23 -3.815 -11.931 -12.574 160 2HB LEU 23 1HB LEU 23 -2.869 -10.464 -12.430 161 HG LEU 23 HG LEU 23 -2.051 -12.897 -14.025 162 1HD1 LEU 23 1HD1 LEU 23 -2.524 -11.472 -15.983 163 2HD1 LEU 23 2HD1 LEU 23 -3.201 -10.250 -14.905 164 3HD1 LEU 23 3HD1 LEU 23 -3.970 -11.832 -15.038 165 1HD2 LEU 23 1HD2 LEU 23 -0.148 -11.622 -13.190 166 2HD2 LEU 23 2HD2 LEU 23 -0.845 -10.138 -13.841 167 3HD2 LEU 23 3HD2 LEU 23 -0.324 -11.419 -14.935 168 H VAL 24 H VAL 24 -4.026 -13.322 -10.179 169 HA VAL 24 HA VAL 24 -5.102 -11.036 -8.848 170 HB VAL 24 HB VAL 24 -5.844 -13.943 -8.486 171 1HG1 VAL 24 1HG1 VAL 24 -7.380 -11.426 -7.854 172 2HG1 VAL 24 2HG1 VAL 24 -6.655 -12.519 -6.676 173 3HG1 VAL 24 3HG1 VAL 24 -7.986 -13.074 -7.691 174 1HG2 VAL 24 1HG2 VAL 24 -7.623 -13.491 -10.103 175 2HG2 VAL 24 2HG2 VAL 24 -6.030 -13.251 -10.819 176 3HG2 VAL 24 3HG2 VAL 24 -7.000 -11.859 -10.335 177 H GLN 25 H GLN 25 -3.376 -13.948 -7.766 178 HA GLN 25 HA GLN 25 -3.540 -13.450 -5.003 179 1HB GLN 25 2HB GLN 25 -1.405 -14.893 -6.581 180 2HB GLN 25 1HB GLN 25 -1.538 -14.926 -4.829 181 1HG GLN 25 2HG GLN 25 -3.731 -15.978 -5.006 182 2HG GLN 25 1HG GLN 25 -3.612 -15.927 -6.767 183 1HE2 GLN 25 1HE2 GLN 25 -3.758 -18.147 -6.962 184 2HE2 GLN 25 2HE2 GLN 25 -2.466 -19.207 -6.513 185 H ALA 26 H ALA 26 -1.339 -12.261 -7.453 186 HA ALA 26 HA ALA 26 0.519 -11.040 -5.685 187 1HB ALA 26 1HB ALA 26 -0.117 -10.375 -8.561 188 2HB ALA 26 2HB ALA 26 1.083 -11.544 -8.008 189 3HB ALA 26 3HB ALA 26 1.299 -9.828 -7.664 190 H CYS 27 H CYS 27 -2.397 -9.921 -7.342 191 HA CYS 27 HA CYS 27 -2.188 -7.196 -6.702 192 1HB CYS 27 2HB CYS 27 -4.664 -8.857 -7.196 193 2HB CYS 27 1HB CYS 27 -4.608 -7.097 -7.189 194 HG CYS 27 HG CYS 27 -3.044 -9.163 -9.429 195 H GLU 28 H GLU 28 -3.522 -9.900 -4.907 196 HA GLU 28 HA GLU 28 -4.842 -8.453 -2.886 197 1HB GLU 28 2HB GLU 28 -4.742 -11.038 -3.481 198 2HB GLU 28 1HB GLU 28 -3.464 -11.042 -2.278 199 1HG GLU 28 2HG GLU 28 -6.239 -10.011 -1.752 200 2HG GLU 28 1HG GLU 28 -5.741 -11.673 -1.451 201 H LYS 29 H LYS 29 -1.520 -9.616 -3.178 202 HA LYS 29 HA LYS 29 -0.769 -8.605 -0.599 203 1HB LYS 29 2HB LYS 29 0.608 -10.055 -2.797 204 2HB LYS 29 1HB LYS 29 1.612 -9.112 -1.701 205 1HG LYS 29 2HG LYS 29 1.388 -11.476 -1.030 206 2HG LYS 29 1HG LYS 29 0.799 -10.352 0.195 207 1HD LYS 29 2HD LYS 29 -1.512 -10.726 -0.802 208 2HD LYS 29 1HD LYS 29 -0.798 -12.078 -1.681 209 1HE LYS 29 2HE LYS 29 -0.176 -13.153 0.385 210 2HE LYS 29 1HE LYS 29 -0.727 -11.760 1.315 211 1HZ LYS 29 1HZ LYS 29 -2.983 -12.189 0.370 212 2HZ LYS 29 2HZ LYS 29 -2.415 -13.391 1.425 213 3HZ LYS 29 3HZ LYS 29 -2.385 -13.659 -0.246 214 H TYR 30 H TYR 30 -0.748 -7.372 -3.861 215 HA TYR 30 HA TYR 30 0.995 -5.190 -3.436 216 1HB TYR 30 2HB TYR 30 -1.310 -5.595 -5.335 217 2HB TYR 30 1HB TYR 30 -0.410 -4.083 -5.284 218 HD1 TYR 30 1HD TYR 30 2.344 -5.135 -4.857 219 HD2 TYR 30 2HD TYR 30 -0.761 -6.453 -7.440 220 HE1 TYR 30 1HE TYR 30 4.024 -6.078 -6.386 221 HE2 TYR 30 2HE TYR 30 0.905 -7.411 -8.967 222 HH TYR 30 HH TYR 30 4.170 -7.807 -8.115 223 H TYR 31 H TYR 31 -2.448 -5.651 -2.834 224 HA TYR 31 HA TYR 31 -3.060 -3.022 -2.046 225 1HB TYR 31 2HB TYR 31 -4.838 -4.590 -2.486 226 2HB TYR 31 1HB TYR 31 -4.259 -5.677 -1.229 227 HD1 TYR 31 2HD TYR 31 -5.891 -2.402 -1.838 228 HD2 TYR 31 1HD TYR 31 -4.905 -5.387 1.033 229 HE1 TYR 31 2HE TYR 31 -7.388 -1.325 -0.209 230 HE2 TYR 31 1HE TYR 31 -6.398 -4.318 2.667 231 HH TYR 31 HH TYR 31 -7.348 -2.045 3.076 232 H LYS 32 H LYS 32 -1.974 -5.829 -0.160 233 HA LYS 32 HA LYS 32 -2.002 -4.407 2.300 234 1HB LYS 32 2HB LYS 32 -0.882 -7.075 1.500 235 2HB LYS 32 1HB LYS 32 -0.660 -6.421 3.119 236 1HG LYS 32 2HG LYS 32 -3.228 -6.115 3.083 237 2HG LYS 32 1HG LYS 32 -3.173 -7.279 1.758 238 1HD LYS 32 2HD LYS 32 -2.600 -8.997 3.114 239 2HD LYS 32 1HD LYS 32 -1.630 -7.972 4.175 240 1HE LYS 32 2HE LYS 32 -4.646 -8.104 4.109 241 2HE LYS 32 1HE LYS 32 -3.603 -8.829 5.334 242 1HZ LYS 32 1HZ LYS 32 -4.426 -6.763 6.165 243 2HZ LYS 32 2HZ LYS 32 -3.938 -5.924 4.770 244 3HZ LYS 32 3HZ LYS 32 -2.777 -6.561 5.831 245 H ALA 33 H ALA 33 0.449 -4.911 -0.151 246 HA ALA 33 HA ALA 33 2.641 -4.004 1.391 247 1HB ALA 33 1HB ALA 33 2.969 -5.161 -0.721 248 2HB ALA 33 2HB ALA 33 3.729 -3.569 -0.770 249 3HB ALA 33 3HB ALA 33 2.190 -3.835 -1.589 250 H ALA 34 H ALA 34 0.066 -2.402 -0.300 251 HA ALA 34 HA ALA 34 1.256 0.210 -0.133 252 1HB ALA 34 1HB ALA 34 -0.213 -0.407 -1.996 253 2HB ALA 34 2HB ALA 34 -0.809 1.002 -1.118 254 3HB ALA 34 3HB ALA 34 -1.559 -0.574 -0.868 255 H GLU 35 H GLU 35 -1.295 -1.575 1.601 256 HA GLU 35 HA GLU 35 -2.223 0.600 3.113 257 1HB GLU 35 2HB GLU 35 -3.223 -1.029 4.628 258 2HB GLU 35 1HB GLU 35 -3.480 -1.493 2.955 259 1HG GLU 35 2HG GLU 35 -1.847 -3.195 3.080 260 2HG GLU 35 1HG GLU 35 -1.278 -2.624 4.644 261 H GLU 36 H GLU 36 0.382 -1.696 3.722 262 HA GLU 36 HA GLU 36 1.005 -0.891 6.337 263 1HB GLU 36 2HB GLU 36 2.719 -2.104 4.174 264 2HB GLU 36 1HB GLU 36 3.289 -1.831 5.814 265 1HG GLU 36 2HG GLU 36 0.917 -3.530 5.086 266 2HG GLU 36 1HG GLU 36 2.540 -4.144 5.389 267 H ALA 37 H ALA 37 2.024 0.361 3.206 268 HA ALA 37 HA ALA 37 4.008 2.139 4.159 269 1HB ALA 37 1HB ALA 37 3.774 3.256 1.997 270 2HB ALA 37 2HB ALA 37 2.275 2.381 1.692 271 3HB ALA 37 3HB ALA 37 3.803 1.505 1.793 272 H ILE 38 H ILE 38 0.582 2.657 3.342 273 HA ILE 38 HA ILE 38 0.414 5.329 4.159 274 HB ILE 38 HB ILE 38 -1.751 3.224 4.353 275 1HG1 ILE 38 2HG1 ILE 38 -0.862 3.275 2.101 276 2HG1 ILE 38 1HG1 ILE 38 -2.445 4.038 2.116 277 1HG2 ILE 38 1HG2 ILE 38 -2.317 5.232 5.586 278 2HG2 ILE 38 2HG2 ILE 38 -3.306 5.112 4.130 279 3HG2 ILE 38 3HG2 ILE 38 -1.941 6.228 4.179 280 1HD1 ILE 38 1HD1 ILE 38 0.202 5.467 2.072 281 2HD1 ILE 38 2HD1 ILE 38 -1.386 6.236 2.094 282 3HD1 ILE 38 3HD1 ILE 38 -0.897 5.260 0.709 283 H LYS 39 H LYS 39 -0.107 2.325 5.908 284 HA LYS 39 HA LYS 39 -0.819 3.176 8.424 285 1HB LYS 39 2HB LYS 39 -0.661 0.842 7.581 286 2HB LYS 39 1HB LYS 39 1.085 0.950 7.683 287 1HG LYS 39 2HG LYS 39 0.936 1.172 10.105 288 2HG LYS 39 1HG LYS 39 -0.829 1.070 9.999 289 1HD LYS 39 2HD LYS 39 -0.575 -1.130 8.867 290 2HD LYS 39 1HD LYS 39 1.161 -1.033 9.153 291 1HE LYS 39 2HE LYS 39 0.803 -1.044 11.542 292 2HE LYS 39 1HE LYS 39 -0.947 -1.025 11.306 293 1HZ LYS 39 1HZ LYS 39 -0.263 -3.258 11.737 294 2HZ LYS 39 2HZ LYS 39 0.934 -3.192 10.542 295 3HZ LYS 39 3HZ LYS 39 -0.704 -3.161 10.102 296 H LEU 40 H LEU 40 2.522 2.483 7.355 297 HA LEU 40 HA LEU 40 3.902 3.495 9.513 298 1HB LEU 40 2HB LEU 40 4.455 2.910 6.689 299 2HB LEU 40 1HB LEU 40 5.575 4.028 7.426 300 HG LEU 40 HG LEU 40 5.868 2.309 9.251 301 1HD1 LEU 40 1HD1 LEU 40 4.513 0.527 7.259 302 2HD1 LEU 40 2HD1 LEU 40 3.879 0.992 8.837 303 3HD1 LEU 40 3HD1 LEU 40 5.335 0.002 8.727 304 1HD2 LEU 40 1HD2 LEU 40 7.553 2.693 7.543 305 2HD2 LEU 40 2HD2 LEU 40 6.717 1.576 6.463 306 3HD2 LEU 40 3HD2 LEU 40 7.452 0.979 7.950 307 H LEU 41 H LEU 41 2.934 5.208 6.572 308 HA LEU 41 HA LEU 41 4.057 7.718 7.222 309 1HB LEU 41 2HB LEU 41 1.805 6.968 5.367 310 2HB LEU 41 1HB LEU 41 2.542 8.562 5.437 311 HG LEU 41 HG LEU 41 4.126 6.059 4.864 312 1HD1 LEU 41 1HD1 LEU 41 2.402 6.369 3.134 313 2HD1 LEU 41 2HD1 LEU 41 4.044 6.582 2.530 314 3HD1 LEU 41 3HD1 LEU 41 3.026 7.994 2.837 315 1HD2 LEU 41 1HD2 LEU 41 5.427 7.936 5.669 316 2HD2 LEU 41 2HD2 LEU 41 4.705 8.987 4.450 317 3HD2 LEU 41 3HD2 LEU 41 5.751 7.656 3.958 318 H VAL 42 H VAL 42 1.095 6.219 8.261 319 HA VAL 42 HA VAL 42 0.094 8.705 9.363 320 HB VAL 42 HB VAL 42 -0.850 5.867 9.828 321 1HG1 VAL 42 1HG1 VAL 42 -1.442 7.327 11.693 322 2HG1 VAL 42 2HG1 VAL 42 -2.871 6.895 10.755 323 3HG1 VAL 42 3HG1 VAL 42 -2.146 8.491 10.571 324 1HG2 VAL 42 1HG2 VAL 42 -2.678 6.441 8.328 325 2HG2 VAL 42 2HG2 VAL 42 -1.125 6.624 7.513 326 3HG2 VAL 42 3HG2 VAL 42 -1.995 8.048 8.086 327 H ILE 43 H ILE 43 1.965 5.935 10.467 328 HA ILE 43 HA ILE 43 1.529 6.434 13.251 329 HB ILE 43 HB ILE 43 3.564 4.673 11.881 330 1HG1 ILE 43 2HG1 ILE 43 0.958 4.029 13.286 331 2HG1 ILE 43 1HG1 ILE 43 1.203 4.036 11.543 332 1HG2 ILE 43 1HG2 ILE 43 4.388 5.283 14.076 333 2HG2 ILE 43 2HG2 ILE 43 3.844 3.606 14.089 334 3HG2 ILE 43 3HG2 ILE 43 2.837 4.865 14.806 335 1HD1 ILE 43 1HD1 ILE 43 2.594 2.212 13.491 336 2HD1 ILE 43 2HD1 ILE 43 2.773 2.198 11.737 337 3HD1 ILE 43 3HD1 ILE 43 1.222 1.781 12.469 338 H GLU 44 H GLU 44 4.432 6.894 11.170 339 HA GLU 44 HA GLU 44 5.936 8.002 13.359 340 1HB GLU 44 2HB GLU 44 7.691 8.413 11.683 341 2HB GLU 44 1HB GLU 44 7.097 6.757 11.632 342 1HG GLU 44 2HG GLU 44 6.455 6.959 9.536 343 2HG GLU 44 1HG GLU 44 5.610 8.469 9.854 344 H ASN 45 H ASN 45 3.866 9.183 10.972 345 HA ASN 45 HA ASN 45 4.856 11.924 11.105 346 1HB ASN 45 2HB ASN 45 4.559 10.996 8.915 347 2HB ASN 45 1HB ASN 45 2.943 10.444 9.306 348 1HD2 ASN 45 1HD2 ASN 45 2.071 11.401 7.603 349 2HD2 ASN 45 2HD2 ASN 45 1.883 13.102 7.452 350 H ASN 46 H ASN 46 2.350 9.863 12.159 351 HA ASN 46 HA ASN 46 0.575 10.065 13.513 352 1HB ASN 46 2HB ASN 46 2.339 11.061 14.974 353 2HB ASN 46 1HB ASN 46 1.824 12.654 14.428 354 1HD2 ASN 46 1HD2 ASN 46 -0.117 13.500 15.175 355 2HD2 ASN 46 2HD2 ASN 46 -1.000 12.788 16.491 356 H LEU 47 H LEU 47 -0.805 10.324 11.695 357 HA LEU 47 HA LEU 47 -1.825 12.950 11.124 358 1HB LEU 47 2HB LEU 47 -2.867 10.205 10.424 359 2HB LEU 47 1HB LEU 47 -3.579 11.705 9.870 360 HG LEU 47 HG LEU 47 -0.817 10.697 9.192 361 1HD1 LEU 47 1HD1 LEU 47 -3.314 10.995 7.532 362 2HD1 LEU 47 2HD1 LEU 47 -2.558 9.482 8.030 363 3HD1 LEU 47 3HD1 LEU 47 -1.723 10.557 6.911 364 1HD2 LEU 47 1HD2 LEU 47 -0.714 12.629 7.676 365 2HD2 LEU 47 2HD2 LEU 47 -0.810 13.117 9.368 366 3HD2 LEU 47 3HD2 LEU 47 -2.239 13.216 8.339 367 H LYS 48 H LYS 48 -2.678 13.901 12.821 368 HA LYS 48 HA LYS 48 -3.692 12.755 15.111 369 1HB LYS 48 2HB LYS 48 -2.948 15.155 14.630 370 2HB LYS 48 1HB LYS 48 -4.589 15.429 14.067 371 1HG LYS 48 2HG LYS 48 -5.488 15.027 16.219 372 2HG LYS 48 1HG LYS 48 -3.941 14.421 16.823 373 1HD LYS 48 2HD LYS 48 -2.969 16.678 16.301 374 2HD LYS 48 1HD LYS 48 -4.613 17.234 15.985 375 1HE LYS 48 2HE LYS 48 -5.258 16.889 18.233 376 2HE LYS 48 1HE LYS 48 -3.795 15.967 18.585 377 1HZ LYS 48 1HZ LYS 48 -3.902 18.866 17.929 378 2HZ LYS 48 2HZ LYS 48 -2.494 17.976 18.239 379 3HZ LYS 48 3HZ LYS 48 -3.639 18.204 19.472 380 H GLU 49 H GLU 49 -5.629 14.136 12.443 381 HA GLU 49 HA GLU 49 -8.093 13.475 13.631 382 1HB GLU 49 2HB GLU 49 -7.415 14.051 10.756 383 2HB GLU 49 1HB GLU 49 -9.041 13.986 11.413 384 1HG GLU 49 2HG GLU 49 -6.880 15.926 12.195 385 2HG GLU 49 1HG GLU 49 -8.302 16.278 11.215 386 H ILE 50 H ILE 50 -5.844 11.643 11.795 387 HA ILE 50 HA ILE 50 -7.729 9.604 11.029 388 HB ILE 50 HB ILE 50 -4.717 9.720 10.873 389 1HG1 ILE 50 2HG1 ILE 50 -5.871 11.208 9.330 390 2HG1 ILE 50 1HG1 ILE 50 -5.156 9.868 8.440 391 1HG2 ILE 50 1HG2 ILE 50 -5.379 7.402 11.171 392 2HG2 ILE 50 2HG2 ILE 50 -4.837 7.675 9.515 393 3HG2 ILE 50 3HG2 ILE 50 -6.560 7.552 9.870 394 1HD1 ILE 50 1HD1 ILE 50 -8.053 10.151 9.203 395 2HD1 ILE 50 2HD1 ILE 50 -7.348 8.781 8.344 396 3HD1 ILE 50 3HD1 ILE 50 -7.361 10.378 7.598 397 H THR 51 H THR 51 -5.109 9.950 13.412 398 HA THR 51 HA THR 51 -5.461 7.409 14.593 399 HB THR 51 HB THR 51 -4.301 8.452 16.594 400 HG1 THR 51 1HG THR 51 -3.285 10.588 15.597 401 1HG2 THR 51 1HG2 THR 51 -3.066 7.285 14.848 402 2HG2 THR 51 2HG2 THR 51 -2.150 8.675 15.428 403 3HG2 THR 51 3HG2 THR 51 -3.002 8.762 13.886 404 H ASN 52 H ASN 52 -6.926 10.562 15.177 405 HA ASN 52 HA ASN 52 -8.474 9.910 17.421 406 1HB ASN 52 2HB ASN 52 -8.949 11.835 15.151 407 2HB ASN 52 1HB ASN 52 -10.096 11.660 16.475 408 1HD2 ASN 52 1HD2 ASN 52 -8.463 13.969 15.689 409 2HD2 ASN 52 2HD2 ASN 52 -7.534 14.375 17.090 410 H ASN 53 H ASN 53 -9.059 9.299 13.992 411 HA ASN 53 HA ASN 53 -11.698 8.297 14.353 412 1HB ASN 53 2HB ASN 53 -9.705 8.205 12.109 413 2HB ASN 53 1HB ASN 53 -11.211 7.312 12.021 414 1HD2 ASN 53 1HD2 ASN 53 -10.284 9.501 10.364 415 2HD2 ASN 53 2HD2 ASN 53 -11.459 10.759 10.512 416 H VAL 54 H VAL 54 -8.536 6.954 14.698 417 HA VAL 54 HA VAL 54 -9.217 4.219 14.358 418 HB VAL 54 HB VAL 54 -6.954 5.410 15.980 419 1HG1 VAL 54 1HG1 VAL 54 -5.864 3.225 15.661 420 2HG1 VAL 54 2HG1 VAL 54 -7.342 2.615 14.915 421 3HG1 VAL 54 3HG1 VAL 54 -7.346 3.104 16.610 422 1HG2 VAL 54 1HG2 VAL 54 -5.575 4.952 13.993 423 2HG2 VAL 54 2HG2 VAL 54 -6.849 6.127 13.664 424 3HG2 VAL 54 3HG2 VAL 54 -7.025 4.459 13.119 425 H LYS 55 H LYS 55 -9.673 6.481 16.917 426 HA LYS 55 HA LYS 55 -9.865 4.697 19.093 427 1HB LYS 55 2HB LYS 55 -10.553 7.516 18.524 428 2HB LYS 55 1HB LYS 55 -11.424 6.761 19.839 429 1HG LYS 55 2HG LYS 55 -9.430 7.974 20.599 430 2HG LYS 55 1HG LYS 55 -9.361 6.255 20.983 431 1HD LYS 55 2HD LYS 55 -7.864 5.855 19.133 432 2HD LYS 55 1HD LYS 55 -8.025 7.531 18.600 433 1HE LYS 55 2HE LYS 55 -5.919 7.056 19.848 434 2HE LYS 55 1HE LYS 55 -6.908 8.329 20.562 435 1HZ LYS 55 1HZ LYS 55 -5.980 6.692 22.174 436 2HZ LYS 55 2HZ LYS 55 -6.973 5.504 21.478 437 3HZ LYS 55 3HZ LYS 55 -7.663 6.856 22.237 438 H ASN 56 H ASN 56 -11.864 5.109 16.416 439 HA ASN 56 HA ASN 56 -14.403 4.707 17.621 440 1HB ASN 56 2HB ASN 56 -14.148 5.665 15.367 441 2HB ASN 56 1HB ASN 56 -13.517 4.127 14.788 442 1HD2 ASN 56 1HD2 ASN 56 -16.325 5.858 15.858 443 2HD2 ASN 56 2HD2 ASN 56 -17.495 4.713 15.286 444 H LYS 57 H LYS 57 -12.469 2.462 15.646 445 HA LYS 57 HA LYS 57 -13.844 0.241 16.900 446 1HB LYS 57 2HB LYS 57 -12.521 0.755 14.321 447 2HB LYS 57 1HB LYS 57 -12.353 -0.870 14.959 448 1HG LYS 57 2HG LYS 57 -14.980 0.543 14.615 449 2HG LYS 57 1HG LYS 57 -14.281 -0.570 13.437 450 1HD LYS 57 2HD LYS 57 -14.328 -2.368 15.032 451 2HD LYS 57 1HD LYS 57 -14.839 -1.271 16.313 452 1HE LYS 57 2HE LYS 57 -16.940 -0.871 15.102 453 2HE LYS 57 1HE LYS 57 -16.423 -2.011 13.859 454 1HZ LYS 57 1HZ LYS 57 -17.934 -2.961 15.569 455 2HZ LYS 57 2HZ LYS 57 -16.713 -2.723 16.724 456 3HZ LYS 57 3HZ LYS 57 -16.455 -3.782 15.423 457 H GLY 58 H GLY 58 -11.025 1.922 17.287 458 1HA GLY 58 2HA GLY 58 -9.303 1.468 18.787 459 2HA GLY 58 1HA GLY 58 -9.897 -0.176 18.939 460 H ARG 59 H ARG 59 -9.866 -0.951 16.301 461 HA ARG 59 HA ARG 59 -6.996 -0.995 15.723 462 1HB ARG 59 2HB ARG 59 -8.301 -3.151 16.278 463 2HB ARG 59 1HB ARG 59 -9.057 -2.953 14.703 464 1HG ARG 59 2HG ARG 59 -6.893 -3.109 13.617 465 2HG ARG 59 1HG ARG 59 -6.095 -3.236 15.186 466 1HD ARG 59 2HD ARG 59 -6.272 -5.440 14.302 467 2HD ARG 59 1HD ARG 59 -7.448 -5.304 15.607 468 HE ARG 59 HE ARG 59 -8.363 -4.845 12.868 469 1HH1 ARG 59 1HH1 ARG 59 -8.226 -6.984 15.653 470 2HH1 ARG 59 2HH1 ARG 59 -9.559 -7.962 15.109 471 1HH2 ARG 59 1HH2 ARG 59 -10.111 -6.152 12.178 472 2HH2 ARG 59 2HH2 ARG 59 -10.615 -7.493 13.155 473 H TRP 60 H TRP 60 -6.463 -1.092 13.423 474 HA TRP 60 HA TRP 60 -7.593 1.022 11.963 475 1HB TRP 60 2HB TRP 60 -5.828 -1.246 11.013 476 2HB TRP 60 1HB TRP 60 -6.176 0.211 10.091 477 HD1 TRP 60 HD TRP 60 -4.327 -0.917 13.282 478 HE1 TRP 60 1HE TRP 60 -2.521 0.843 13.838 479 HE3 TRP 60 3HE TRP 60 -5.483 2.570 9.725 480 HZ2 TRP 60 2HZ TRP 60 -1.705 3.361 12.878 481 HZ3 TRP 60 3HZ TRP 60 -4.137 4.624 9.612 482 HH2 TRP 60 HH TRP 60 -2.289 5.009 11.156 483 H LYS 61 H LYS 61 -9.332 1.115 10.709 484 HA LYS 61 HA LYS 61 -10.604 -1.415 9.911 485 1HB LYS 61 2HB LYS 61 -11.821 -0.267 11.716 486 2HB LYS 61 1HB LYS 61 -11.947 1.173 10.715 487 1HG LYS 61 2HG LYS 61 -13.088 -0.516 9.040 488 2HG LYS 61 1HG LYS 61 -13.412 -1.401 10.533 489 1HD LYS 61 2HD LYS 61 -14.475 0.584 11.482 490 2HD LYS 61 1HD LYS 61 -14.141 1.478 9.997 491 1HE LYS 61 2HE LYS 61 -15.462 -0.373 8.816 492 2HE LYS 61 1HE LYS 61 -16.030 -0.814 10.427 493 1HZ LYS 61 1HZ LYS 61 -16.783 1.535 10.669 494 2HZ LYS 61 2HZ LYS 61 -17.612 0.655 9.479 495 3HZ LYS 61 3HZ LYS 61 -16.420 1.773 9.024 496 H SER 62 H SER 62 -9.450 -1.222 7.887 497 HA SER 62 HA SER 62 -9.416 -0.855 5.648 498 1HB SER 62 2HB SER 62 -12.375 -0.851 6.192 499 2HB SER 62 1HB SER 62 -11.637 -1.127 4.617 500 HG SER 62 HG SER 62 -10.946 -3.053 5.241 501 H GLU 63 H GLU 63 -12.327 1.070 6.132 502 HA GLU 63 HA GLU 63 -11.854 2.825 4.057 503 1HB GLU 63 2HB GLU 63 -13.643 4.202 5.065 504 2HB GLU 63 1HB GLU 63 -14.059 2.498 5.003 505 1HG GLU 63 2HG GLU 63 -13.435 2.294 7.382 506 2HG GLU 63 1HG GLU 63 -13.114 4.026 7.419 507 H ASN 64 H ASN 64 -10.747 3.023 7.368 508 HA ASN 64 HA ASN 64 -10.190 5.767 7.519 509 1HB ASN 64 2HB ASN 64 -10.125 3.975 9.379 510 2HB ASN 64 1HB ASN 64 -8.481 3.659 8.836 511 1HD2 ASN 64 1HD2 ASN 64 -9.321 4.624 11.404 512 2HD2 ASN 64 2HD2 ASN 64 -8.576 6.166 11.627 513 H LEU 65 H LEU 65 -8.389 3.099 6.118 514 HA LEU 65 HA LEU 65 -5.902 4.387 5.794 515 1HB LEU 65 2HB LEU 65 -7.171 2.162 4.196 516 2HB LEU 65 1HB LEU 65 -5.495 2.654 4.050 517 HG LEU 65 HG LEU 65 -6.737 1.580 6.584 518 1HD1 LEU 65 1HD1 LEU 65 -4.965 0.201 4.569 519 2HD1 LEU 65 2HD1 LEU 65 -6.682 -0.120 4.822 520 3HD1 LEU 65 3HD1 LEU 65 -5.520 -0.474 6.102 521 1HD2 LEU 65 1HD2 LEU 65 -4.405 1.366 7.315 522 2HD2 LEU 65 2HD2 LEU 65 -4.831 3.045 6.974 523 3HD2 LEU 65 3HD2 LEU 65 -3.872 2.125 5.815 524 H PHE 66 H PHE 66 -8.827 4.377 3.859 525 HA PHE 66 HA PHE 66 -7.647 5.564 1.548 526 1HB PHE 66 2HB PHE 66 -9.764 4.244 1.495 527 2HB PHE 66 1HB PHE 66 -10.561 5.541 2.378 528 HD1 PHE 66 2HD PHE 66 -8.780 4.769 -0.775 529 HD2 PHE 66 1HD PHE 66 -11.478 7.361 1.245 530 HE1 PHE 66 2HE PHE 66 -9.301 5.877 -2.909 531 HE2 PHE 66 1HE PHE 66 -12.009 8.477 -0.883 532 HZ PHE 66 HZ PHE 66 -10.916 7.735 -2.965 533 H LYS 67 H LYS 67 -9.389 6.767 4.366 534 HA LYS 67 HA LYS 67 -9.508 9.481 3.579 535 1HB LYS 67 2HB LYS 67 -10.572 8.062 5.601 536 2HB LYS 67 1HB LYS 67 -9.240 8.812 6.459 537 1HG LYS 67 2HG LYS 67 -11.321 10.321 4.889 538 2HG LYS 67 1HG LYS 67 -11.358 10.070 6.634 539 1HD LYS 67 2HD LYS 67 -9.238 11.275 6.855 540 2HD LYS 67 1HD LYS 67 -9.185 11.506 5.106 541 1HE LYS 67 2HE LYS 67 -11.382 12.533 6.897 542 2HE LYS 67 1HE LYS 67 -9.999 13.491 6.369 543 1HZ LYS 67 1HZ LYS 67 -12.057 13.794 5.032 544 2HZ LYS 67 2HZ LYS 67 -11.903 12.193 4.491 545 3HZ LYS 67 3HZ LYS 67 -10.701 13.335 4.123 546 H ALA 68 H ALA 68 -7.236 7.620 5.535 547 HA ALA 68 HA ALA 68 -5.445 9.620 6.242 548 1HB ALA 68 1HB ALA 68 -4.829 6.747 5.559 549 2HB ALA 68 2HB ALA 68 -5.337 7.354 7.135 550 3HB ALA 68 3HB ALA 68 -3.780 7.839 6.461 551 H SER 69 H SER 69 -5.453 7.598 3.323 552 HA SER 69 HA SER 69 -3.141 8.713 2.158 553 1HB SER 69 2HB SER 69 -5.497 7.417 0.770 554 2HB SER 69 1HB SER 69 -3.869 7.602 0.117 555 HG SER 69 HG SER 69 -4.769 5.936 2.210 556 H LYS 70 H LYS 70 -6.523 9.622 2.064 557 HA LYS 70 HA LYS 70 -6.433 11.525 0.003 558 1HB LYS 70 2HB LYS 70 -8.353 10.535 1.732 559 2HB LYS 70 1HB LYS 70 -8.202 12.213 2.232 560 1HG LYS 70 2HG LYS 70 -8.718 11.335 -0.599 561 2HG LYS 70 1HG LYS 70 -9.979 11.786 0.548 562 1HD LYS 70 2HD LYS 70 -8.952 14.016 0.761 563 2HD LYS 70 1HD LYS 70 -7.738 13.553 -0.436 564 1HE LYS 70 2HE LYS 70 -9.491 13.226 -2.098 565 2HE LYS 70 1HE LYS 70 -10.719 13.642 -0.902 566 1HZ LYS 70 1HZ LYS 70 -9.744 15.851 -0.732 567 2HZ LYS 70 2HZ LYS 70 -10.220 15.519 -2.324 568 3HZ LYS 70 3HZ LYS 70 -8.580 15.449 -1.898 569 H LEU 71 H LEU 71 -5.862 11.798 3.486 570 HA LEU 71 HA LEU 71 -5.296 14.598 3.429 571 1HB LEU 71 2HB LEU 71 -4.642 12.501 5.502 572 2HB LEU 71 1HB LEU 71 -4.440 14.226 5.729 573 HG LEU 71 HG LEU 71 -7.075 12.820 5.278 574 1HD1 LEU 71 1HD1 LEU 71 -7.533 13.398 7.599 575 2HD1 LEU 71 2HD1 LEU 71 -5.920 14.093 7.753 576 3HD1 LEU 71 3HD1 LEU 71 -6.109 12.363 7.476 577 1HD2 LEU 71 1HD2 LEU 71 -8.087 14.974 5.740 578 2HD2 LEU 71 2HD2 LEU 71 -7.013 15.092 4.345 579 3HD2 LEU 71 3HD2 LEU 71 -6.494 15.709 5.914 580 H LEU 72 H LEU 72 -3.390 11.667 3.162 581 HA LEU 72 HA LEU 72 -0.849 12.802 3.589 582 1HB LEU 72 2HB LEU 72 -1.730 10.329 2.127 583 2HB LEU 72 1HB LEU 72 -0.042 10.775 2.273 584 HG LEU 72 HG LEU 72 -1.899 10.216 4.589 585 1HD1 LEU 72 1HD1 LEU 72 -1.404 8.201 3.325 586 2HD1 LEU 72 2HD1 LEU 72 -0.561 8.185 4.874 587 3HD1 LEU 72 3HD1 LEU 72 0.320 8.563 3.393 588 1HD2 LEU 72 1HD2 LEU 72 -0.160 11.832 5.150 589 2HD2 LEU 72 2HD2 LEU 72 1.072 10.739 4.517 590 3HD2 LEU 72 3HD2 LEU 72 0.136 10.284 5.940 591 H ARG 73 H ARG 73 -2.973 13.254 1.003 592 HA ARG 73 HA ARG 73 -1.135 13.525 -1.124 593 1HB ARG 73 2HB ARG 73 -3.599 13.402 -1.437 594 2HB ARG 73 1HB ARG 73 -3.744 15.012 -0.744 595 1HG ARG 73 2HG ARG 73 -2.529 15.980 -2.559 596 2HG ARG 73 1HG ARG 73 -2.135 14.389 -3.203 597 1HD ARG 73 2HD ARG 73 -4.532 13.986 -3.602 598 2HD ARG 73 1HD ARG 73 -4.879 15.617 -3.024 599 HE ARG 73 HE ARG 73 -3.284 16.309 -4.912 600 1HH1 ARG 73 1HH1 ARG 73 -5.480 13.586 -5.045 601 2HH1 ARG 73 2HH1 ARG 73 -5.597 13.594 -6.778 602 1HH2 ARG 73 1HH2 ARG 73 -3.410 16.319 -7.187 603 2HH2 ARG 73 2HH2 ARG 73 -4.418 15.159 -8.006 604 H SER 74 H SER 74 -2.012 15.594 1.537 605 HA SER 74 HA SER 74 -0.799 17.957 0.458 606 1HB SER 74 2HB SER 74 -1.549 17.290 3.315 607 2HB SER 74 1HB SER 74 -1.189 18.899 2.685 608 HG SER 74 HG SER 74 -2.999 18.204 1.099 609 H ASN 75 H ASN 75 0.445 15.109 1.648 610 HA ASN 75 HA ASN 75 2.962 16.329 2.530 611 1HB ASN 75 2HB ASN 75 2.037 14.467 3.895 612 2HB ASN 75 1HB ASN 75 2.124 13.412 2.490 613 1HD2 ASN 75 1HD2 ASN 75 3.521 11.976 3.489 614 2HD2 ASN 75 2HD2 ASN 75 5.175 12.360 3.813 615 H ASN 76 H ASN 76 1.691 13.957 0.231 616 HA ASN 76 HA ASN 76 3.436 14.976 -1.836 617 1HB ASN 76 2HB ASN 76 4.865 13.246 -0.825 618 2HB ASN 76 1HB ASN 76 3.575 12.061 -1.003 619 1HD2 ASN 76 1HD2 ASN 76 6.021 13.903 -2.622 620 2HD2 ASN 76 2HD2 ASN 76 5.955 13.058 -4.133 621 H THR 77 H THR 77 2.333 15.013 -3.700 622 HA THR 77 HA THR 77 -0.410 14.357 -3.620 623 HB THR 77 HB THR 77 0.347 16.306 -4.839 624 HG1 THR 77 1HG THR 77 -1.051 14.268 -6.164 625 1HG2 THR 77 1HG2 THR 77 2.503 15.464 -5.624 626 2HG2 THR 77 2HG2 THR 77 1.554 16.114 -6.960 627 3HG2 THR 77 3HG2 THR 77 1.682 14.370 -6.734 628 H GLU 78 H GLU 78 2.298 12.490 -4.630 629 HA GLU 78 HA GLU 78 0.814 10.934 -6.536 630 1HB GLU 78 2HB GLU 78 3.598 10.658 -5.424 631 2HB GLU 78 1HB GLU 78 2.920 9.617 -6.663 632 1HG GLU 78 2HG GLU 78 2.593 11.572 -8.111 633 2HG GLU 78 1HG GLU 78 3.329 12.584 -6.872 634 H ILE 79 H ILE 79 1.419 10.809 -3.162 635 HA ILE 79 HA ILE 79 1.382 8.077 -2.655 636 HB ILE 79 HB ILE 79 0.298 10.294 -0.911 637 1HG1 ILE 79 2HG1 ILE 79 2.972 8.872 -0.951 638 2HG1 ILE 79 1HG1 ILE 79 2.680 10.523 -1.493 639 1HG2 ILE 79 1HG2 ILE 79 0.997 7.436 -0.239 640 2HG2 ILE 79 2HG2 ILE 79 -0.621 8.138 -0.248 641 3HG2 ILE 79 3HG2 ILE 79 0.570 8.683 0.934 642 1HD1 ILE 79 1HD1 ILE 79 2.076 11.166 0.773 643 2HD1 ILE 79 2HD1 ILE 79 3.693 10.461 0.713 644 3HD1 ILE 79 3HD1 ILE 79 2.337 9.508 1.315 645 HA PRO 80 HA PRO 80 -3.478 8.254 -2.259 646 1HB PRO 80 2HB PRO 80 -4.690 10.299 -3.615 647 2HB PRO 80 1HB PRO 80 -4.317 10.342 -1.889 648 1HG PRO 80 2HG PRO 80 -2.784 11.512 -4.179 649 2HG PRO 80 1HG PRO 80 -3.169 12.231 -2.601 650 1HD PRO 80 2HD PRO 80 -0.754 11.187 -3.096 651 2HD PRO 80 1HD PRO 80 -1.524 11.020 -1.506 652 H ILE 81 H ILE 81 -1.757 9.339 -5.075 653 HA ILE 81 HA ILE 81 -3.524 8.257 -7.028 654 HB ILE 81 HB ILE 81 -0.567 8.857 -7.225 655 1HG1 ILE 81 2HG1 ILE 81 -2.985 10.462 -8.086 656 2HG1 ILE 81 1HG1 ILE 81 -1.954 10.824 -6.707 657 1HG2 ILE 81 1HG2 ILE 81 -1.222 7.274 -8.940 658 2HG2 ILE 81 2HG2 ILE 81 -0.927 8.858 -9.658 659 3HG2 ILE 81 3HG2 ILE 81 -2.580 8.301 -9.399 660 1HD1 ILE 81 1HD1 ILE 81 -1.443 12.251 -8.608 661 2HD1 ILE 81 2HD1 ILE 81 -1.093 10.829 -9.591 662 3HD1 ILE 81 3HD1 ILE 81 -0.074 11.216 -8.205 663 H LEU 82 H LEU 82 -0.568 7.108 -5.473 664 HA LEU 82 HA LEU 82 -0.439 4.592 -6.756 665 1HB LEU 82 2HB LEU 82 0.593 5.291 -4.009 666 2HB LEU 82 1HB LEU 82 1.175 4.019 -5.065 667 HG LEU 82 HG LEU 82 1.399 6.965 -5.672 668 1HD1 LEU 82 1HD1 LEU 82 3.472 5.057 -4.602 669 2HD1 LEU 82 2HD1 LEU 82 2.730 6.391 -3.720 670 3HD1 LEU 82 3HD1 LEU 82 3.764 6.721 -5.108 671 1HD2 LEU 82 1HD2 LEU 82 1.375 5.586 -7.664 672 2HD2 LEU 82 2HD2 LEU 82 2.624 4.545 -6.984 673 3HD2 LEU 82 3HD2 LEU 82 2.995 6.222 -7.382 674 H TRP 83 H TRP 83 -1.784 5.640 -3.650 675 HA TRP 83 HA TRP 83 -2.672 3.148 -2.736 676 1HB TRP 83 2HB TRP 83 -2.609 5.126 -1.289 677 2HB TRP 83 1HB TRP 83 -3.881 5.883 -2.245 678 HD1 TRP 83 HD TRP 83 -6.222 5.629 -1.231 679 HE1 TRP 83 1HE TRP 83 -7.371 3.977 0.376 680 HE3 TRP 83 3HE TRP 83 -2.384 2.327 -0.591 681 HZ2 TRP 83 2HZ TRP 83 -6.730 1.586 1.740 682 HZ3 TRP 83 3HZ TRP 83 -2.728 0.386 0.868 683 HH2 TRP 83 HH TRP 83 -4.852 0.017 2.012 684 H LYS 84 H LYS 84 -4.198 5.532 -4.843 685 HA LYS 84 HA LYS 84 -6.755 4.496 -5.055 686 1HB LYS 84 2HB LYS 84 -5.974 6.610 -6.099 687 2HB LYS 84 1HB LYS 84 -5.107 5.672 -7.300 688 1HG LYS 84 2HG LYS 84 -7.332 4.637 -7.910 689 2HG LYS 84 1HG LYS 84 -8.074 5.889 -6.917 690 1HD LYS 84 2HD LYS 84 -8.125 6.718 -9.125 691 2HD LYS 84 1HD LYS 84 -6.800 7.568 -8.330 692 1HE LYS 84 2HE LYS 84 -6.347 5.074 -9.948 693 2HE LYS 84 1HE LYS 84 -6.399 6.670 -10.693 694 1HZ LYS 84 1HZ LYS 84 -4.138 5.924 -10.160 695 2HZ LYS 84 2HZ LYS 84 -4.531 5.897 -8.512 696 3HZ LYS 84 3HZ LYS 84 -4.548 7.364 -9.364 697 H SER 85 H SER 85 -3.821 3.572 -6.778 698 HA SER 85 HA SER 85 -4.987 1.748 -8.564 699 1HB SER 85 2HB SER 85 -2.186 1.733 -7.420 700 2HB SER 85 1HB SER 85 -2.710 0.941 -8.907 701 HG SER 85 HG SER 85 -1.717 3.272 -8.815 702 H ALA 86 H ALA 86 -3.463 1.220 -5.379 703 HA ALA 86 HA ALA 86 -3.913 -1.579 -5.320 704 1HB ALA 86 1HB ALA 86 -3.394 -1.427 -2.945 705 2HB ALA 86 2HB ALA 86 -3.540 0.329 -3.012 706 3HB ALA 86 3HB ALA 86 -2.248 -0.482 -3.898 707 H TRP 87 H TRP 87 -5.738 1.195 -4.176 708 HA TRP 87 HA TRP 87 -7.827 -0.122 -2.859 709 1HB TRP 87 2HB TRP 87 -7.341 2.360 -2.875 710 2HB TRP 87 1HB TRP 87 -8.027 2.427 -4.484 711 HD1 TRP 87 HD TRP 87 -10.516 2.866 -4.626 712 HE1 TRP 87 1HE TRP 87 -12.485 2.958 -2.959 713 HE3 TRP 87 3HE TRP 87 -8.107 1.119 -0.492 714 HZ2 TRP 87 2HZ TRP 87 -12.931 2.360 -0.228 715 HZ3 TRP 87 3HZ TRP 87 -9.364 0.913 1.616 716 HH2 TRP 87 HH TRP 87 -11.727 1.522 1.744 717 H THR 88 H THR 88 -7.378 0.762 -6.242 718 HA THR 88 HA THR 88 -9.879 -0.034 -7.231 719 HB THR 88 HB THR 88 -7.207 0.008 -8.657 720 HG1 THR 88 1HG THR 88 -7.838 2.045 -7.781 721 1HG2 THR 88 1HG2 THR 88 -10.016 0.031 -9.774 722 2HG2 THR 88 2HG2 THR 88 -8.861 -1.294 -9.900 723 3HG2 THR 88 3HG2 THR 88 -8.537 0.235 -10.715 724 H LEU 89 H LEU 89 -6.861 -1.843 -6.792 725 HA LEU 89 HA LEU 89 -7.540 -4.193 -8.124 726 1HB LEU 89 2HB LEU 89 -5.834 -3.779 -5.670 727 2HB LEU 89 1HB LEU 89 -5.952 -5.307 -6.519 728 HG LEU 89 HG LEU 89 -4.887 -2.736 -7.696 729 1HD1 LEU 89 1HD1 LEU 89 -3.406 -3.663 -5.999 730 2HD1 LEU 89 2HD1 LEU 89 -2.721 -3.876 -7.611 731 3HD1 LEU 89 3HD1 LEU 89 -3.473 -5.241 -6.785 732 1HD2 LEU 89 1HD2 LEU 89 -5.032 -5.531 -8.816 733 2HD2 LEU 89 2HD2 LEU 89 -4.181 -4.175 -9.556 734 3HD2 LEU 89 3HD2 LEU 89 -5.934 -4.127 -9.384 735 H HIS 90 H HIS 90 -8.278 -3.177 -4.826 736 HA HIS 90 HA HIS 90 -9.473 -5.743 -4.202 737 1HB HIS 90 2HB HIS 90 -8.119 -4.376 -2.553 738 2HB HIS 90 1HB HIS 90 -9.475 -3.258 -2.487 739 HD1 HIS 90 1HD HIS 90 -8.236 -6.450 -1.117 740 HD2 HIS 90 2HD HIS 90 -11.861 -4.398 -1.297 741 HE1 HIS 90 1HE HIS 90 -9.719 -7.530 0.600 742 HE2 HIS 90 2HE HIS 90 -11.817 -6.130 0.631 743 H VAL 91 H VAL 91 -10.575 -2.363 -4.525 744 HA VAL 91 HA VAL 91 -13.297 -3.032 -3.931 745 HB VAL 91 HB VAL 91 -12.118 -0.493 -5.055 746 1HG1 VAL 91 1HG1 VAL 91 -14.880 -1.026 -3.958 747 2HG1 VAL 91 2HG1 VAL 91 -14.477 -0.645 -5.632 748 3HG1 VAL 91 3HG1 VAL 91 -14.235 0.563 -4.369 749 1HG2 VAL 91 1HG2 VAL 91 -11.301 -1.043 -2.837 750 2HG2 VAL 91 2HG2 VAL 91 -12.954 -1.262 -2.263 751 3HG2 VAL 91 3HG2 VAL 91 -12.397 0.336 -2.763 752 H GLU 92 H GLU 92 -11.735 -1.870 -6.937 753 HA GLU 92 HA GLU 92 -14.107 -2.313 -8.475 754 1HB GLU 92 2HB GLU 92 -11.267 -1.676 -9.273 755 2HB GLU 92 1HB GLU 92 -12.562 -1.894 -10.441 756 1HG GLU 92 2HG GLU 92 -12.452 0.186 -8.270 757 2HG GLU 92 1HG GLU 92 -12.199 0.455 -9.995 758 H GLY 93 H GLY 93 -11.353 -4.187 -7.587 759 1HA GLY 93 2HA GLY 93 -11.937 -6.319 -9.449 760 2HA GLY 93 1HA GLY 93 -10.798 -6.383 -8.105 761 H PHE 94 H PHE 94 -11.359 -7.933 -6.749 762 HA PHE 94 HA PHE 94 -12.494 -8.981 -5.084 763 1HB PHE 94 2HB PHE 94 -13.374 -6.735 -4.525 764 2HB PHE 94 1HB PHE 94 -14.711 -6.994 -5.638 765 HD1 PHE 94 2HD PHE 94 -13.200 -8.080 -2.461 766 HD2 PHE 94 1HD PHE 94 -16.606 -8.269 -5.003 767 HE1 PHE 94 2HE PHE 94 -14.502 -9.086 -0.633 768 HE2 PHE 94 1HE PHE 94 -17.915 -9.271 -3.176 769 HZ PHE 94 HZ PHE 94 -16.863 -9.681 -0.988 770 H HIS 95 H HIS 95 -14.694 -8.136 -7.736 771 HA HIS 95 HA HIS 95 -16.059 -10.690 -7.474 772 1HB HIS 95 2HB HIS 95 -17.283 -8.520 -7.784 773 2HB HIS 95 1HB HIS 95 -16.602 -8.427 -9.403 774 HD1 HIS 95 1HD HIS 95 -18.849 -10.674 -7.341 775 HD2 HIS 95 2HD HIS 95 -18.086 -9.697 -11.311 776 HE1 HIS 95 1HE HIS 95 -20.624 -11.844 -8.682 777 HE2 HIS 95 2HE HIS 95 -20.282 -11.040 -11.047 778 H GLU 96 H GLU 96 -13.641 -11.368 -8.159 779 HA GLU 96 HA GLU 96 -12.536 -12.742 -9.585 780 1HB GLU 96 2HB GLU 96 -15.114 -12.618 -11.154 781 2HB GLU 96 1HB GLU 96 -13.792 -13.729 -11.492 782 1HG GLU 96 2HG GLU 96 -14.070 -14.804 -9.372 783 2HG GLU 96 1HG GLU 96 -15.263 -13.607 -8.873 784 H LEU 97 H LEU 97 -12.444 -9.788 -9.926 785 HA LEU 97 HA LEU 97 -11.882 -9.455 -12.735 786 1HB LEU 97 2HB LEU 97 -11.648 -7.633 -10.357 787 2HB LEU 97 1HB LEU 97 -10.908 -7.210 -11.886 788 HG LEU 97 HG LEU 97 -12.977 -6.069 -11.780 789 1HD1 LEU 97 1HD1 LEU 97 -12.480 -7.002 -13.960 790 2HD1 LEU 97 2HD1 LEU 97 -14.220 -6.988 -13.677 791 3HD1 LEU 97 3HD1 LEU 97 -13.316 -8.497 -13.534 792 1HD2 LEU 97 1HD2 LEU 97 -15.123 -7.180 -11.417 793 2HD2 LEU 97 2HD2 LEU 97 -14.053 -7.353 -10.026 794 3HD2 LEU 97 3HD2 LEU 97 -14.282 -8.706 -11.135 795 H SER 98 H SER 98 -10.260 -10.724 -13.319 796 HA SER 98 HA SER 98 -7.839 -10.961 -11.767 797 1HB SER 98 2HB SER 98 -8.427 -12.040 -14.532 798 2HB SER 98 1HB SER 98 -7.156 -12.575 -13.432 799 HG SER 98 HG SER 98 -9.152 -12.912 -11.971 800 H LEU 99 H LEU 99 -9.032 -8.923 -14.205 801 HA LEU 99 HA LEU 99 -8.164 -7.229 -15.425 802 1HB LEU 99 2HB LEU 99 -5.851 -7.558 -13.522 803 2HB LEU 99 1HB LEU 99 -6.002 -6.235 -14.662 804 HG LEU 99 HG LEU 99 -7.877 -6.819 -12.369 805 1HD1 LEU 99 1HD1 LEU 99 -5.867 -4.614 -12.798 806 2HD1 LEU 99 2HD1 LEU 99 -5.734 -5.937 -11.640 807 3HD1 LEU 99 3HD1 LEU 99 -7.001 -4.724 -11.452 808 1HD2 LEU 99 1HD2 LEU 99 -9.044 -5.869 -14.304 809 2HD2 LEU 99 2HD2 LEU 99 -7.882 -4.543 -14.349 810 3HD2 LEU 99 3HD2 LEU 99 -8.961 -4.724 -12.965 811 H ASN 100 H ASN 100 -5.562 -6.689 -16.321 812 HA ASN 100 HA ASN 100 -4.825 -9.152 -17.758 813 1HB ASN 100 2HB ASN 100 -4.846 -6.385 -18.983 814 2HB ASN 100 1HB ASN 100 -4.491 -7.901 -19.800 815 1HD2 ASN 100 1HD2 ASN 100 -6.958 -5.869 -18.454 816 2HD2 ASN 100 2HD2 ASN 100 -8.305 -6.670 -19.210 817 H GLU 101 H GLU 101 -2.650 -8.760 -18.922 818 HA GLU 101 HA GLU 101 -0.609 -8.351 -17.068 819 1HB GLU 101 2HB GLU 101 -0.367 -9.617 -19.161 820 2HB GLU 101 1HB GLU 101 -0.536 -8.137 -20.084 821 1HG GLU 101 2HG GLU 101 1.765 -8.730 -20.024 822 2HG GLU 101 1HG GLU 101 1.536 -7.293 -19.030 823 H LYS 102 H LYS 102 -1.967 -6.191 -19.487 824 HA LYS 102 HA LYS 102 -0.272 -4.037 -19.385 825 1HB LYS 102 2HB LYS 102 -2.308 -4.506 -20.856 826 2HB LYS 102 1HB LYS 102 -3.271 -3.816 -19.565 827 1HG LYS 102 2HG LYS 102 -1.014 -2.282 -20.790 828 2HG LYS 102 1HG LYS 102 -2.608 -2.339 -21.537 829 1HD LYS 102 2HD LYS 102 -3.591 -1.503 -19.431 830 2HD LYS 102 1HD LYS 102 -1.967 -1.376 -18.753 831 1HE LYS 102 2HE LYS 102 -1.371 0.219 -20.515 832 2HE LYS 102 1HE LYS 102 -3.005 0.101 -21.170 833 1HZ LYS 102 1HZ LYS 102 -2.814 2.043 -19.790 834 2HZ LYS 102 2HZ LYS 102 -2.248 1.120 -18.488 835 3HZ LYS 102 3HZ LYS 102 -3.840 0.930 -19.034 836 H GLU 103 H GLU 103 -3.029 -4.740 -17.266 837 HA GLU 103 HA GLU 103 -2.825 -2.347 -15.768 838 1HB GLU 103 2HB GLU 103 -4.230 -4.964 -15.297 839 2HB GLU 103 1HB GLU 103 -4.258 -3.674 -14.115 840 1HG GLU 103 2HG GLU 103 -6.255 -3.509 -15.357 841 2HG GLU 103 1HG GLU 103 -5.220 -2.186 -15.881 842 H VAL 104 H VAL 104 -1.745 -5.682 -15.168 843 HA VAL 104 HA VAL 104 -0.811 -5.252 -12.554 844 HB VAL 104 HB VAL 104 0.152 -7.299 -14.556 845 1HG1 VAL 104 1HG1 VAL 104 1.682 -7.073 -12.679 846 2HG1 VAL 104 2HG1 VAL 104 0.814 -8.605 -12.591 847 3HG1 VAL 104 3HG1 VAL 104 0.344 -7.265 -11.547 848 1HG2 VAL 104 1HG2 VAL 104 -1.475 -8.794 -13.462 849 2HG2 VAL 104 2HG2 VAL 104 -2.247 -7.428 -14.266 850 3HG2 VAL 104 3HG2 VAL 104 -2.062 -7.429 -12.512 851 H LYS 105 H LYS 105 0.778 -4.940 -15.693 852 HA LYS 105 HA LYS 105 3.406 -4.558 -14.878 853 1HB LYS 105 2HB LYS 105 1.829 -3.557 -17.223 854 2HB LYS 105 1HB LYS 105 3.482 -3.008 -16.978 855 1HG LYS 105 2HG LYS 105 2.718 -5.911 -17.115 856 2HG LYS 105 1HG LYS 105 3.204 -4.964 -18.523 857 1HD LYS 105 2HD LYS 105 5.344 -4.457 -17.434 858 2HD LYS 105 1HD LYS 105 4.857 -5.422 -16.041 859 1HE LYS 105 2HE LYS 105 4.989 -6.556 -18.820 860 2HE LYS 105 1HE LYS 105 6.385 -6.534 -17.744 861 1HZ LYS 105 1HZ LYS 105 5.212 -7.878 -16.172 862 2HZ LYS 105 2HZ LYS 105 5.129 -8.637 -17.688 863 3HZ LYS 105 3HZ LYS 105 3.779 -7.808 -17.080 864 H LYS 106 H LYS 106 0.732 -2.252 -14.917 865 HA LYS 106 HA LYS 106 2.384 -0.069 -14.058 866 1HB LYS 106 2HB LYS 106 0.336 0.472 -15.209 867 2HB LYS 106 1HB LYS 106 -0.617 -0.432 -14.038 868 1HG LYS 106 2HG LYS 106 0.014 1.161 -12.292 869 2HG LYS 106 1HG LYS 106 0.969 2.068 -13.464 870 1HD LYS 106 2HD LYS 106 -1.029 2.572 -14.742 871 2HD LYS 106 1HD LYS 106 -2.001 1.587 -13.647 872 1HE LYS 106 2HE LYS 106 -2.211 3.985 -13.162 873 2HE LYS 106 1HE LYS 106 -1.517 3.091 -11.811 874 1HZ LYS 106 1HZ LYS 106 -0.439 5.286 -12.425 875 2HZ LYS 106 2HZ LYS 106 0.179 4.494 -13.791 876 3HZ LYS 106 3HZ LYS 106 0.598 3.959 -12.238 877 H LEU 107 H LEU 107 0.043 -2.218 -12.476 878 HA LEU 107 HA LEU 107 0.041 -1.026 -9.979 879 1HB LEU 107 2HB LEU 107 -0.688 -3.694 -11.016 880 2HB LEU 107 1HB LEU 107 -0.421 -3.585 -9.287 881 HG LEU 107 HG LEU 107 -2.773 -3.304 -9.737 882 1HD1 LEU 107 1HD1 LEU 107 -1.485 -0.671 -9.034 883 2HD1 LEU 107 2HD1 LEU 107 -1.829 -1.994 -7.918 884 3HD1 LEU 107 3HD1 LEU 107 -3.154 -1.130 -8.697 885 1HD2 LEU 107 1HD2 LEU 107 -2.601 -2.546 -12.059 886 2HD2 LEU 107 2HD2 LEU 107 -1.984 -0.989 -11.505 887 3HD2 LEU 107 3HD2 LEU 107 -3.629 -1.480 -11.101 888 H LYS 108 H LYS 108 2.245 -3.569 -11.160 889 HA LYS 108 HA LYS 108 3.385 -4.105 -8.645 890 1HB LYS 108 2HB LYS 108 5.273 -5.104 -9.898 891 2HB LYS 108 1HB LYS 108 3.707 -5.655 -10.459 892 1HG LYS 108 2HG LYS 108 4.771 -5.334 -12.446 893 2HG LYS 108 1HG LYS 108 4.024 -3.751 -12.239 894 1HD LYS 108 2HD LYS 108 6.100 -2.832 -11.409 895 2HD LYS 108 1HD LYS 108 6.856 -4.427 -11.441 896 1HE LYS 108 2HE LYS 108 6.632 -4.499 -13.867 897 2HE LYS 108 1HE LYS 108 5.822 -2.934 -13.852 898 1HZ LYS 108 1HZ LYS 108 8.554 -3.281 -12.763 899 2HZ LYS 108 2HZ LYS 108 7.786 -1.848 -13.250 900 3HZ LYS 108 3HZ LYS 108 8.285 -2.979 -14.410 901 H GLU 109 H GLU 109 4.173 -1.691 -11.060 902 HA GLU 109 HA GLU 109 6.509 -0.797 -9.613 903 1HB GLU 109 2HB GLU 109 6.249 -0.807 -12.131 904 2HB GLU 109 1HB GLU 109 5.128 0.532 -11.940 905 1HG GLU 109 2HG GLU 109 6.813 1.964 -11.138 906 2HG GLU 109 1HG GLU 109 7.938 0.625 -10.897 907 H ASP 110 H ASP 110 3.190 0.167 -10.116 908 HA ASP 110 HA ASP 110 3.312 2.762 -9.028 909 1HB ASP 110 2HB ASP 110 1.427 1.363 -10.356 910 2HB ASP 110 1HB ASP 110 0.810 1.185 -8.717 911 H VAL 111 H VAL 111 2.426 -0.367 -7.581 912 HA VAL 111 HA VAL 111 2.045 0.713 -4.966 913 HB VAL 111 HB VAL 111 2.552 -2.142 -5.834 914 1HG1 VAL 111 1HG1 VAL 111 1.600 -1.057 -3.186 915 2HG1 VAL 111 2HG1 VAL 111 3.124 -1.890 -3.497 916 3HG1 VAL 111 3HG1 VAL 111 1.597 -2.759 -3.645 917 1HG2 VAL 111 1HG2 VAL 111 0.134 -2.403 -5.553 918 2HG2 VAL 111 2HG2 VAL 111 0.520 -1.198 -6.781 919 3HG2 VAL 111 3HG2 VAL 111 -0.006 -0.687 -5.177 920 H ARG 112 H ARG 112 4.796 -0.591 -6.720 921 HA ARG 112 HA ARG 112 6.516 -0.923 -4.512 922 1HB ARG 112 2HB ARG 112 6.893 -1.736 -6.912 923 2HB ARG 112 1HB ARG 112 7.460 -0.105 -7.254 924 1HG ARG 112 2HG ARG 112 9.196 -0.334 -5.567 925 2HG ARG 112 1HG ARG 112 8.614 -1.950 -5.171 926 1HD ARG 112 2HD ARG 112 9.046 -2.535 -7.605 927 2HD ARG 112 1HD ARG 112 9.923 -1.008 -7.708 928 HE ARG 112 HE ARG 112 10.919 -2.391 -5.508 929 1HH1 ARG 112 1HH1 ARG 112 10.813 -2.769 -8.985 930 2HH1 ARG 112 2HH1 ARG 112 12.253 -3.733 -9.051 931 1HH2 ARG 112 1HH2 ARG 112 12.790 -3.667 -5.582 932 2HH2 ARG 112 2HH2 ARG 112 13.381 -4.247 -7.113 933 H LYS 113 H LYS 113 5.728 1.864 -6.520 934 HA LYS 113 HA LYS 113 7.522 3.735 -5.536 935 1HB LYS 113 2HB LYS 113 4.720 3.871 -6.568 936 2HB LYS 113 1HB LYS 113 5.416 5.307 -5.837 937 1HG LYS 113 2HG LYS 113 6.759 3.813 -8.067 938 2HG LYS 113 1HG LYS 113 5.598 5.112 -8.344 939 1HD LYS 113 2HD LYS 113 8.094 5.409 -6.678 940 2HD LYS 113 1HD LYS 113 7.992 5.839 -8.388 941 1HE LYS 113 2HE LYS 113 6.227 6.988 -6.228 942 2HE LYS 113 1HE LYS 113 7.692 7.764 -6.827 943 1HZ LYS 113 1HZ LYS 113 5.698 8.650 -7.894 944 2HZ LYS 113 2HZ LYS 113 5.299 7.108 -8.470 945 3HZ LYS 113 3HZ LYS 113 6.700 7.879 -9.023 946 H LEU 114 H LEU 114 4.393 2.726 -4.204 947 HA LEU 114 HA LEU 114 4.496 4.407 -1.928 948 1HB LEU 114 2HB LEU 114 2.762 2.342 -2.994 949 2HB LEU 114 1HB LEU 114 2.927 2.208 -1.273 950 HG LEU 114 HG LEU 114 1.969 4.585 -2.765 951 1HD1 LEU 114 1HD1 LEU 114 0.575 2.675 -0.916 952 2HD1 LEU 114 2HD1 LEU 114 0.303 2.857 -2.649 953 3HD1 LEU 114 3HD1 LEU 114 -0.134 4.161 -1.545 954 1HD2 LEU 114 1HD2 LEU 114 3.259 5.343 -0.881 955 2HD2 LEU 114 2HD2 LEU 114 2.408 4.222 0.183 956 3HD2 LEU 114 3HD2 LEU 114 1.543 5.575 -0.546 957 H VAL 115 H VAL 115 5.604 1.120 -2.566 958 HA VAL 115 HA VAL 115 6.264 0.443 0.082 959 HB VAL 115 HB VAL 115 7.556 -0.490 -2.491 960 1HG1 VAL 115 1HG1 VAL 115 7.703 -1.711 0.266 961 2HG1 VAL 115 2HG1 VAL 115 9.020 -0.884 -0.566 962 3HG1 VAL 115 3HG1 VAL 115 8.381 -2.396 -1.211 963 1HG2 VAL 115 1HG2 VAL 115 5.181 -1.001 -2.397 964 2HG2 VAL 115 2HG2 VAL 115 5.380 -1.725 -0.801 965 3HG2 VAL 115 3HG2 VAL 115 6.131 -2.474 -2.211 966 H ILE 116 H ILE 116 8.153 2.013 -2.476 967 HA ILE 116 HA ILE 116 10.547 2.320 -1.070 968 HB ILE 116 HB ILE 116 9.328 4.185 -3.123 969 1HG1 ILE 116 2HG1 ILE 116 11.358 1.959 -3.436 970 2HG1 ILE 116 1HG1 ILE 116 9.661 1.852 -3.890 971 1HG2 ILE 116 1HG2 ILE 116 12.197 3.971 -2.204 972 2HG2 ILE 116 2HG2 ILE 116 11.090 5.287 -1.814 973 3HG2 ILE 116 3HG2 ILE 116 11.589 5.021 -3.484 974 1HD1 ILE 116 1HD1 ILE 116 11.069 2.248 -5.826 975 2HD1 ILE 116 2HD1 ILE 116 11.690 3.726 -5.085 976 3HD1 ILE 116 3HD1 ILE 116 9.991 3.614 -5.542 977 H PHE 117 H PHE 117 7.546 4.152 -0.944 978 HA PHE 117 HA PHE 117 8.552 6.318 0.589 979 1HB PHE 117 2HB PHE 117 5.874 5.290 -0.211 980 2HB PHE 117 1HB PHE 117 5.955 6.403 1.136 981 HD1 PHE 117 1HD PHE 117 7.315 8.597 0.707 982 HD2 PHE 117 2HD PHE 117 5.704 6.114 -2.352 983 HE1 PHE 117 1HE PHE 117 7.387 10.490 -0.865 984 HE2 PHE 117 2HE PHE 117 5.775 7.999 -3.930 985 HZ PHE 117 HZ PHE 117 6.616 10.193 -3.187 986 H ALA 118 H ALA 118 7.021 3.240 1.338 987 HA ALA 118 HA ALA 118 6.763 3.687 4.125 988 1HB ALA 118 1HB ALA 118 6.935 1.090 2.595 989 2HB ALA 118 2HB ALA 118 5.463 1.970 3.006 990 3HB ALA 118 3HB ALA 118 6.445 1.250 4.281 991 H VAL 119 H VAL 119 9.203 1.996 2.161 992 HA VAL 119 HA VAL 119 10.877 1.217 4.295 993 HB VAL 119 HB VAL 119 11.676 1.772 1.428 994 1HG1 VAL 119 1HG1 VAL 119 13.023 0.122 3.562 995 2HG1 VAL 119 2HG1 VAL 119 13.601 1.655 2.905 996 3HG1 VAL 119 3HG1 VAL 119 13.525 0.224 1.876 997 1HG2 VAL 119 1HG2 VAL 119 9.870 0.148 1.545 998 2HG2 VAL 119 2HG2 VAL 119 10.775 -0.791 2.732 999 3HG2 VAL 119 3HG2 VAL 119 11.382 -0.636 1.085 1000 H ASN 120 H ASN 120 10.565 4.181 2.480 1001 HA ASN 120 HA ASN 120 12.967 5.435 3.246 1002 1HB ASN 120 2HB ASN 120 11.196 6.127 1.470 1003 2HB ASN 120 1HB ASN 120 10.405 6.949 2.808 1004 1HD2 ASN 120 1HD2 ASN 120 13.159 6.863 0.721 1005 2HD2 ASN 120 2HD2 ASN 120 13.770 8.434 1.101 1006 H SER 121 H SER 121 10.135 4.696 5.022 1007 HA SER 121 HA SER 121 10.511 6.674 7.075 1008 1HB SER 121 2HB SER 121 8.285 5.699 6.597 1009 2HB SER 121 1HB SER 121 8.874 4.122 7.121 1010 HG SER 121 HG SER 121 8.628 6.488 8.688 1011 H LEU 122 H LEU 122 11.696 3.484 6.383 1012 HA LEU 122 HA LEU 122 12.807 3.075 9.014 1013 1HB LEU 122 2HB LEU 122 13.201 1.636 6.393 1014 2HB LEU 122 1HB LEU 122 14.085 1.217 7.844 1015 HG LEU 122 HG LEU 122 12.295 -0.337 7.609 1016 1HD1 LEU 122 1HD1 LEU 122 11.035 0.021 9.672 1017 2HD1 LEU 122 2HD1 LEU 122 11.587 1.695 9.717 1018 3HD1 LEU 122 3HD1 LEU 122 12.749 0.380 9.883 1019 1HD2 LEU 122 1HD2 LEU 122 10.421 2.018 7.454 1020 2HD2 LEU 122 2HD2 LEU 122 9.955 0.318 7.481 1021 3HD2 LEU 122 3HD2 LEU 122 10.865 0.962 6.115 1022 H GLU 123 H GLU 123 13.971 3.909 5.807 1023 HA GLU 123 HA GLU 123 16.532 4.797 6.867 1024 1HB GLU 123 2HB GLU 123 15.402 4.899 4.059 1025 2HB GLU 123 1HB GLU 123 17.030 5.392 4.507 1026 1HG GLU 123 2HG GLU 123 17.325 3.015 5.383 1027 2HG GLU 123 1HG GLU 123 15.848 2.637 4.493 1028 H HIS 124 H HIS 124 14.566 6.106 8.096 1029 HA HIS 124 HA HIS 124 13.719 8.495 6.718 1030 1HB HIS 124 2HB HIS 124 12.484 7.094 8.538 1031 2HB HIS 124 1HB HIS 124 13.456 8.022 9.673 1032 HD1 HIS 124 1HD HIS 124 12.119 9.859 10.606 1033 HD2 HIS 124 2HD HIS 124 11.184 9.147 6.621 1034 HE1 HIS 124 1HE HIS 124 10.349 11.540 10.018 1035 HE2 HIS 124 2HE HIS 124 9.625 10.910 7.689 1036 H HIS 125 H HIS 125 16.490 8.336 6.793 1037 HA HIS 125 HA HIS 125 17.517 9.891 9.019 1038 1HB HIS 125 2HB HIS 125 18.703 7.932 7.858 1039 2HB HIS 125 1HB HIS 125 19.008 9.043 6.530 1040 HD1 HIS 125 1HD HIS 125 21.530 9.181 6.776 1041 HD2 HIS 125 2HD HIS 125 19.483 10.062 10.290 1042 HE1 HIS 125 1HE HIS 125 23.265 10.053 8.379 1043 HE2 HIS 125 2HE HIS 125 22.024 10.447 10.539 1044 H HIS 126 H HIS 126 15.625 11.319 7.715 1045 HA HIS 126 HA HIS 126 15.084 13.214 6.617 1046 1HB HIS 126 2HB HIS 126 16.720 14.136 8.289 1047 2HB HIS 126 1HB HIS 126 17.957 14.051 7.038 1048 HD1 HIS 126 1HD HIS 126 17.763 15.755 5.056 1049 HD2 HIS 126 2HD HIS 126 14.889 16.224 8.029 1050 HE1 HIS 126 1HE HIS 126 16.702 17.994 4.628 1051 HE2 HIS 126 2HE HIS 126 15.021 18.300 6.482 1052 H HIS 127 H HIS 127 14.660 12.382 4.613 1053 HA HIS 127 HA HIS 127 16.835 12.054 2.715 1054 1HB HIS 127 2HB HIS 127 15.167 11.124 1.204 1055 2HB HIS 127 1HB HIS 127 15.031 10.368 2.783 1056 HD1 HIS 127 1HD HIS 127 12.977 11.603 0.184 1057 HD2 HIS 127 2HD HIS 127 12.841 11.827 4.344 1058 HE1 HIS 127 1HE HIS 127 10.586 12.146 0.769 1059 HE2 HIS 127 2HE HIS 127 10.509 12.201 3.291 1060 H HIS 128 H HIS 128 17.410 13.481 1.212 1061 HA HIS 128 HA HIS 128 16.179 16.066 1.178 1062 1HB HIS 128 2HB HIS 128 17.863 16.722 -0.379 1063 2HB HIS 128 1HB HIS 128 18.637 15.653 0.780 1064 HD1 HIS 128 1HD HIS 128 19.144 13.169 -0.109 1065 HD2 HIS 128 2HD HIS 128 18.114 15.977 -3.003 1066 HE1 HIS 128 1HE HIS 128 19.859 12.178 -2.304 1067 HE2 HIS 128 2HE HIS 128 19.413 13.980 -4.006 1068 H HIS 129 H HIS 129 15.973 13.195 -0.745 1069 HA HIS 129 HA HIS 129 13.546 14.069 -1.966 1070 1HB HIS 129 2HB HIS 129 15.332 15.107 -3.442 1071 2HB HIS 129 1HB HIS 129 15.866 13.474 -3.824 1072 HD1 HIS 129 1HD HIS 129 14.455 12.125 -5.481 1073 HD2 HIS 129 2HD HIS 129 12.856 15.855 -4.575 1074 HE1 HIS 129 1HE HIS 129 12.632 12.510 -7.170 1075 HE2 HIS 129 2HE HIS 129 11.792 14.843 -6.708 Start of MODEL 5 1 1H MET 1 1HT MET 1 20.559 -4.483 13.618 2 2H MET 1 2HT MET 1 19.175 -5.006 14.442 3 3H MET 1 3HT MET 1 19.038 -3.853 13.209 4 HA MET 1 HA MET 1 19.793 -5.467 11.581 5 1HB MET 1 2HB MET 1 21.132 -6.830 13.143 6 2HB MET 1 1HB MET 1 19.656 -7.403 13.904 7 1HG MET 1 2HG MET 1 18.996 -8.326 11.658 8 2HG MET 1 1HG MET 1 20.630 -7.948 11.117 9 1HE MET 1 1HE MET 1 19.625 -10.975 14.461 10 2HE MET 1 2HE MET 1 18.415 -10.099 13.528 11 3HE MET 1 3HE MET 1 19.448 -9.230 14.662 12 H SER 2 H SER 2 17.796 -4.713 10.863 13 HA SER 2 HA SER 2 15.756 -6.740 11.032 14 1HB SER 2 2HB SER 2 13.952 -5.077 11.589 15 2HB SER 2 1HB SER 2 15.055 -5.426 12.921 16 HG SER 2 HG SER 2 15.399 -3.229 11.163 17 H ILE 3 H ILE 3 15.886 -7.093 8.868 18 HA ILE 3 HA ILE 3 15.223 -4.804 7.124 19 HB ILE 3 HB ILE 3 16.217 -6.008 5.258 20 1HG1 ILE 3 2HG1 ILE 3 16.971 -8.096 7.309 21 2HG1 ILE 3 1HG1 ILE 3 15.775 -8.298 6.038 22 1HG2 ILE 3 1HG2 ILE 3 18.568 -5.860 5.941 23 2HG2 ILE 3 2HG2 ILE 3 18.062 -5.804 7.631 24 3HG2 ILE 3 3HG2 ILE 3 17.620 -4.494 6.536 25 1HD1 ILE 3 1HD1 ILE 3 17.538 -8.043 4.360 26 2HD1 ILE 3 2HD1 ILE 3 17.849 -9.390 5.454 27 3HD1 ILE 3 3HD1 ILE 3 18.730 -7.878 5.648 28 H SER 4 H SER 4 14.123 -5.611 5.052 29 HA SER 4 HA SER 4 12.203 -6.318 4.099 30 1HB SER 4 2HB SER 4 12.632 -8.753 5.845 31 2HB SER 4 1HB SER 4 11.495 -8.651 4.500 32 HG SER 4 HG SER 4 14.176 -7.986 4.047 33 H THR 5 H THR 5 11.182 -4.565 5.161 34 HA THR 5 HA THR 5 9.784 -4.842 7.622 35 HB THR 5 HB THR 5 8.596 -2.766 6.861 36 HG1 THR 5 1HG THR 5 10.380 -2.868 4.635 37 1HG2 THR 5 1HG2 THR 5 10.550 -1.333 7.004 38 2HG2 THR 5 2HG2 THR 5 11.603 -2.684 6.584 39 3HG2 THR 5 3HG2 THR 5 10.724 -2.693 8.115 40 H SER 6 H SER 6 7.300 -4.303 7.570 41 HA SER 6 HA SER 6 5.921 -6.546 6.785 42 1HB SER 6 2HB SER 6 4.695 -3.792 7.034 43 2HB SER 6 1HB SER 6 3.922 -5.347 7.349 44 HG SER 6 HG SER 6 5.616 -5.609 9.018 45 H ALA 7 H ALA 7 6.212 -3.456 5.072 46 HA ALA 7 HA ALA 7 4.505 -4.081 2.922 47 1HB ALA 7 1HB ALA 7 5.192 -1.795 3.447 48 2HB ALA 7 2HB ALA 7 5.557 -2.201 1.771 49 3HB ALA 7 3HB ALA 7 6.847 -2.177 2.975 50 H GLU 8 H GLU 8 8.000 -4.470 3.348 51 HA GLU 8 HA GLU 8 8.559 -5.421 0.753 52 1HB GLU 8 2HB GLU 8 9.984 -5.889 3.372 53 2HB GLU 8 1HB GLU 8 10.623 -6.357 1.803 54 1HG GLU 8 2HG GLU 8 10.752 -4.080 1.102 55 2HG GLU 8 1HG GLU 8 9.916 -3.536 2.558 56 H VAL 9 H VAL 9 7.647 -7.057 3.739 57 HA VAL 9 HA VAL 9 8.009 -9.702 2.943 58 HB VAL 9 HB VAL 9 5.959 -8.517 4.826 59 1HG1 VAL 9 1HG1 VAL 9 6.727 -11.411 4.445 60 2HG1 VAL 9 2HG1 VAL 9 5.168 -10.683 4.055 61 3HG1 VAL 9 3HG1 VAL 9 5.700 -10.781 5.732 62 1HG2 VAL 9 1HG2 VAL 9 8.293 -8.180 5.473 63 2HG2 VAL 9 2HG2 VAL 9 8.580 -9.917 5.353 64 3HG2 VAL 9 3HG2 VAL 9 7.471 -9.287 6.572 65 H TYR 10 H TYR 10 5.082 -7.685 2.704 66 HA TYR 10 HA TYR 10 3.588 -9.673 1.325 67 1HB TYR 10 2HB TYR 10 3.142 -6.695 1.603 68 2HB TYR 10 1HB TYR 10 1.992 -7.799 0.856 69 HD1 TYR 10 2HD TYR 10 1.517 -9.967 2.439 70 HD2 TYR 10 1HD TYR 10 2.689 -6.100 3.775 71 HE1 TYR 10 2HE TYR 10 0.539 -10.438 4.646 72 HE2 TYR 10 1HE TYR 10 1.713 -6.562 5.985 73 HH TYR 10 HH TYR 10 0.027 -8.019 6.989 74 H TYR 11 H TYR 11 5.627 -7.008 0.298 75 HA TYR 11 HA TYR 11 4.902 -7.044 -2.441 76 1HB TYR 11 2HB TYR 11 6.035 -5.120 -1.450 77 2HB TYR 11 1HB TYR 11 7.454 -6.102 -1.108 78 HD1 TYR 11 1HD TYR 11 5.382 -4.773 -3.892 79 HD2 TYR 11 2HD TYR 11 9.159 -6.322 -2.700 80 HE1 TYR 11 1HE TYR 11 6.311 -4.191 -6.094 81 HE2 TYR 11 2HE TYR 11 10.096 -5.743 -4.895 82 HH TYR 11 HH TYR 11 9.238 -5.394 -7.219 83 H GLU 12 H GLU 12 7.432 -8.683 -0.593 84 HA GLU 12 HA GLU 12 8.824 -9.850 -2.735 85 1HB GLU 12 2HB GLU 12 9.594 -9.752 -0.356 86 2HB GLU 12 1HB GLU 12 8.412 -10.987 0.044 87 1HG GLU 12 2HG GLU 12 10.574 -11.995 -0.173 88 2HG GLU 12 1HG GLU 12 9.548 -12.532 -1.501 89 H GLU 13 H GLU 13 6.087 -11.062 -0.818 90 HA GLU 13 HA GLU 13 5.796 -13.535 -2.135 91 1HB GLU 13 2HB GLU 13 3.690 -11.800 -0.819 92 2HB GLU 13 1HB GLU 13 3.475 -13.484 -1.265 93 1HG GLU 13 2HG GLU 13 5.528 -12.498 0.702 94 2HG GLU 13 1HG GLU 13 3.936 -13.112 1.142 95 H ALA 14 H ALA 14 4.486 -10.317 -2.846 96 HA ALA 14 HA ALA 14 2.844 -11.050 -5.009 97 1HB ALA 14 1HB ALA 14 3.009 -8.697 -5.696 98 2HB ALA 14 2HB ALA 14 4.327 -8.461 -4.548 99 3HB ALA 14 3HB ALA 14 2.711 -8.855 -3.964 100 H GLU 15 H GLU 15 6.235 -10.041 -4.882 101 HA GLU 15 HA GLU 15 6.819 -10.249 -7.618 102 1HB GLU 15 2HB GLU 15 8.563 -10.623 -5.178 103 2HB GLU 15 1HB GLU 15 9.190 -10.544 -6.813 104 1HG GLU 15 2HG GLU 15 7.602 -8.353 -5.506 105 2HG GLU 15 1HG GLU 15 9.363 -8.425 -5.537 106 H GLU 16 H GLU 16 6.867 -12.630 -5.012 107 HA GLU 16 HA GLU 16 7.958 -14.771 -6.411 108 1HB GLU 16 2HB GLU 16 6.196 -14.498 -4.029 109 2HB GLU 16 1HB GLU 16 6.583 -16.081 -4.649 110 1HG GLU 16 2HG GLU 16 8.528 -14.013 -3.666 111 2HG GLU 16 1HG GLU 16 8.071 -15.504 -2.844 112 H PHE 17 H PHE 17 4.569 -13.856 -5.914 113 HA PHE 17 HA PHE 17 3.554 -16.025 -7.455 114 1HB PHE 17 2HB PHE 17 2.270 -13.472 -6.495 115 2HB PHE 17 1HB PHE 17 1.399 -14.689 -7.422 116 HD1 PHE 17 1HD PHE 17 1.899 -17.185 -6.416 117 HD2 PHE 17 2HD PHE 17 1.873 -13.531 -4.243 118 HE1 PHE 17 1HE PHE 17 1.403 -18.422 -4.347 119 HE2 PHE 17 2HE PHE 17 1.378 -14.760 -2.171 120 HZ PHE 17 HZ PHE 17 1.142 -17.208 -2.219 121 H LEU 18 H LEU 18 4.524 -12.757 -8.201 122 HA LEU 18 HA LEU 18 3.471 -12.681 -10.829 123 1HB LEU 18 2HB LEU 18 4.266 -10.687 -9.594 124 2HB LEU 18 1HB LEU 18 5.909 -11.281 -9.720 125 HG LEU 18 HG LEU 18 5.777 -11.087 -12.179 126 1HD1 LEU 18 1HD1 LEU 18 3.367 -11.375 -12.436 127 2HD1 LEU 18 2HD1 LEU 18 3.918 -9.884 -13.200 128 3HD1 LEU 18 3HD1 LEU 18 3.091 -9.824 -11.643 129 1HD2 LEU 18 1HD2 LEU 18 5.841 -8.645 -12.267 130 2HD2 LEU 18 2HD2 LEU 18 6.698 -9.262 -10.855 131 3HD2 LEU 18 3HD2 LEU 18 5.088 -8.566 -10.673 132 H SER 19 H SER 19 6.440 -13.930 -9.424 133 HA SER 19 HA SER 19 7.670 -14.553 -11.939 134 1HB SER 19 2HB SER 19 8.886 -14.154 -9.742 135 2HB SER 19 1HB SER 19 8.327 -15.747 -9.234 136 HG SER 19 HG SER 19 9.649 -16.691 -10.633 137 H LYS 20 H LYS 20 5.519 -16.120 -9.713 138 HA LYS 20 HA LYS 20 5.618 -18.743 -10.756 139 1HB LYS 20 2HB LYS 20 4.575 -18.381 -8.626 140 2HB LYS 20 1HB LYS 20 3.456 -17.207 -9.305 141 1HG LYS 20 2HG LYS 20 2.543 -19.117 -10.709 142 2HG LYS 20 1HG LYS 20 3.473 -20.187 -9.658 143 1HD LYS 20 2HD LYS 20 2.269 -19.413 -7.723 144 2HD LYS 20 1HD LYS 20 1.429 -18.192 -8.684 145 1HE LYS 20 2HE LYS 20 0.432 -20.031 -10.029 146 2HE LYS 20 1HE LYS 20 1.179 -21.185 -8.926 147 1HZ LYS 20 1HZ LYS 20 -0.087 -20.161 -7.110 148 2HZ LYS 20 2HZ LYS 20 -1.094 -20.820 -8.305 149 3HZ LYS 20 3HZ LYS 20 -0.863 -19.144 -8.225 150 H GLY 21 H GLY 21 3.792 -15.871 -11.615 151 1HA GLY 21 2HA GLY 21 2.947 -15.507 -13.828 152 2HA GLY 21 1HA GLY 21 2.796 -17.252 -14.014 153 H ASP 22 H ASP 22 1.834 -15.627 -11.093 154 HA ASP 22 HA ASP 22 -0.990 -16.071 -11.816 155 1HB ASP 22 2HB ASP 22 0.020 -17.596 -10.012 156 2HB ASP 22 1HB ASP 22 0.069 -16.159 -8.993 157 H LEU 23 H LEU 23 -1.913 -14.154 -12.141 158 HA LEU 23 HA LEU 23 -0.763 -11.775 -10.956 159 1HB LEU 23 2HB LEU 23 -3.143 -12.090 -12.780 160 2HB LEU 23 1HB LEU 23 -2.380 -10.572 -12.347 161 HG LEU 23 HG LEU 23 -1.072 -12.799 -13.909 162 1HD1 LEU 23 1HD1 LEU 23 -1.213 -11.261 -15.795 163 2HD1 LEU 23 2HD1 LEU 23 -2.096 -10.108 -14.792 164 3HD1 LEU 23 3HD1 LEU 23 -2.813 -11.672 -15.180 165 1HD2 LEU 23 1HD2 LEU 23 0.525 -11.536 -12.560 166 2HD2 LEU 23 2HD2 LEU 23 -0.090 -10.028 -13.235 167 3HD2 LEU 23 3HD2 LEU 23 0.729 -11.191 -14.279 168 H VAL 24 H VAL 24 -3.445 -13.875 -10.405 169 HA VAL 24 HA VAL 24 -5.110 -11.961 -9.076 170 HB VAL 24 HB VAL 24 -5.271 -14.977 -8.939 171 1HG1 VAL 24 1HG1 VAL 24 -7.311 -12.825 -8.386 172 2HG1 VAL 24 2HG1 VAL 24 -6.589 -13.922 -7.209 173 3HG1 VAL 24 3HG1 VAL 24 -7.664 -14.550 -8.459 174 1HG2 VAL 24 1HG2 VAL 24 -6.589 -13.071 -10.867 175 2HG2 VAL 24 2HG2 VAL 24 -6.900 -14.803 -10.761 176 3HG2 VAL 24 3HG2 VAL 24 -5.310 -14.221 -11.255 177 H GLN 25 H GLN 25 -2.994 -14.609 -7.995 178 HA GLN 25 HA GLN 25 -3.410 -14.068 -5.225 179 1HB GLN 25 2HB GLN 25 -1.223 -15.608 -6.629 180 2HB GLN 25 1HB GLN 25 -1.462 -15.574 -4.885 181 1HG GLN 25 2HG GLN 25 -3.681 -16.562 -5.176 182 2HG GLN 25 1HG GLN 25 -3.428 -16.604 -6.920 183 1HE2 GLN 25 1HE2 GLN 25 -3.942 -18.782 -5.051 184 2HE2 GLN 25 2HE2 GLN 25 -2.609 -19.884 -5.223 185 H ALA 26 H ALA 26 -1.279 -12.813 -7.652 186 HA ALA 26 HA ALA 26 0.653 -11.756 -5.818 187 1HB ALA 26 1HB ALA 26 1.642 -10.682 -7.753 188 2HB ALA 26 2HB ALA 26 0.217 -11.070 -8.719 189 3HB ALA 26 3HB ALA 26 1.251 -12.364 -8.115 190 H CYS 27 H CYS 27 -2.171 -10.439 -7.522 191 HA CYS 27 HA CYS 27 -1.522 -7.738 -7.111 192 1HB CYS 27 2HB CYS 27 -3.900 -7.262 -7.639 193 2HB CYS 27 1HB CYS 27 -3.123 -8.323 -8.807 194 HG CYS 27 HG CYS 27 -5.780 -8.860 -6.879 195 H GLU 28 H GLU 28 -3.244 -10.023 -5.061 196 HA GLU 28 HA GLU 28 -4.155 -8.024 -3.237 197 1HB GLU 28 2HB GLU 28 -4.689 -9.879 -1.727 198 2HB GLU 28 1HB GLU 28 -5.314 -10.153 -3.344 199 1HG GLU 28 2HG GLU 28 -3.668 -11.776 -3.809 200 2HG GLU 28 1HG GLU 28 -2.732 -11.333 -2.380 201 H LYS 29 H LYS 29 -1.239 -9.897 -3.584 202 HA LYS 29 HA LYS 29 -0.325 -9.597 -0.927 203 1HB LYS 29 2HB LYS 29 1.198 -10.179 -3.464 204 2HB LYS 29 1HB LYS 29 1.897 -10.246 -1.850 205 1HG LYS 29 2HG LYS 29 -0.337 -11.953 -2.920 206 2HG LYS 29 1HG LYS 29 1.312 -12.463 -2.554 207 1HD LYS 29 2HD LYS 29 0.971 -12.047 -0.202 208 2HD LYS 29 1HD LYS 29 -0.628 -11.368 -0.520 209 1HE LYS 29 2HE LYS 29 -1.365 -13.552 -1.371 210 2HE LYS 29 1HE LYS 29 0.225 -14.222 -1.014 211 1HZ LYS 29 1HZ LYS 29 -0.136 -13.723 1.334 212 2HZ LYS 29 2HZ LYS 29 -1.347 -14.746 0.733 213 3HZ LYS 29 3HZ LYS 29 -1.676 -13.101 0.980 214 H TYR 30 H TYR 30 0.530 -7.791 -3.914 215 HA TYR 30 HA TYR 30 2.060 -5.937 -2.351 216 1HB TYR 30 2HB TYR 30 2.318 -4.601 -4.385 217 2HB TYR 30 1HB TYR 30 2.717 -6.287 -4.661 218 HD1 TYR 30 1HD TYR 30 -0.093 -3.865 -5.083 219 HD2 TYR 30 2HD TYR 30 1.856 -7.361 -6.510 220 HE1 TYR 30 1HE TYR 30 -1.558 -3.866 -7.055 221 HE2 TYR 30 2HE TYR 30 0.395 -7.379 -8.487 222 HH TYR 30 HH TYR 30 -1.766 -6.528 -9.196 223 H TYR 31 H TYR 31 -1.250 -6.260 -3.172 224 HA TYR 31 HA TYR 31 -2.087 -3.614 -2.687 225 1HB TYR 31 2HB TYR 31 -3.679 -5.115 -3.642 226 2HB TYR 31 1HB TYR 31 -3.485 -6.269 -2.324 227 HD1 TYR 31 1HD TYR 31 -4.631 -2.787 -3.002 228 HD2 TYR 31 2HD TYR 31 -4.963 -6.233 -0.538 229 HE1 TYR 31 1HE TYR 31 -6.496 -1.736 -1.790 230 HE2 TYR 31 2HE TYR 31 -6.833 -5.200 0.674 231 HH TYR 31 HH TYR 31 -7.558 -2.745 1.152 232 H LYS 32 H LYS 32 -1.557 -6.373 -0.524 233 HA LYS 32 HA LYS 32 -2.296 -5.046 1.852 234 1HB LYS 32 2HB LYS 32 -0.523 -7.424 1.324 235 2HB LYS 32 1HB LYS 32 -0.855 -6.840 2.951 236 1HG LYS 32 2HG LYS 32 -2.895 -7.817 0.958 237 2HG LYS 32 1HG LYS 32 -2.325 -8.682 2.390 238 1HD LYS 32 2HD LYS 32 -3.249 -6.999 3.837 239 2HD LYS 32 1HD LYS 32 -3.686 -5.995 2.454 240 1HE LYS 32 2HE LYS 32 -5.202 -7.814 1.696 241 2HE LYS 32 1HE LYS 32 -4.841 -8.677 3.195 242 1HZ LYS 32 1HZ LYS 32 -6.027 -5.956 3.023 243 2HZ LYS 32 2HZ LYS 32 -5.722 -6.818 4.446 244 3HZ LYS 32 3HZ LYS 32 -6.894 -7.380 3.356 245 H ALA 33 H ALA 33 0.744 -5.279 0.104 246 HA ALA 33 HA ALA 33 2.358 -3.962 2.002 247 1HB ALA 33 1HB ALA 33 3.270 -5.210 0.099 248 2HB ALA 33 2HB ALA 33 3.894 -3.561 0.153 249 3HB ALA 33 3HB ALA 33 2.632 -3.990 -1.003 250 H ALA 34 H ALA 34 0.148 -2.824 -0.460 251 HA ALA 34 HA ALA 34 0.889 -0.084 -0.368 252 1HB ALA 34 1HB ALA 34 -0.314 -1.022 -2.270 253 2HB ALA 34 2HB ALA 34 -1.208 0.321 -1.558 254 3HB ALA 34 3HB ALA 34 -1.710 -1.338 -1.241 255 H GLU 35 H GLU 35 -1.686 -1.962 1.249 256 HA GLU 35 HA GLU 35 -2.837 0.244 2.562 257 1HB GLU 35 2HB GLU 35 -2.773 -2.536 3.745 258 2HB GLU 35 1HB GLU 35 -3.979 -1.282 3.991 259 1HG GLU 35 2HG GLU 35 -4.569 -1.530 1.557 260 2HG GLU 35 1HG GLU 35 -3.544 -2.958 1.541 261 H GLU 36 H GLU 36 -0.295 -2.023 3.527 262 HA GLU 36 HA GLU 36 0.195 -1.027 6.098 263 1HB GLU 36 2HB GLU 36 1.844 -2.565 4.122 264 2HB GLU 36 1HB GLU 36 2.580 -1.972 5.603 265 1HG GLU 36 2HG GLU 36 0.187 -3.789 5.444 266 2HG GLU 36 1HG GLU 36 1.841 -4.288 5.803 267 H ALA 37 H ALA 37 1.432 -0.023 2.950 268 HA ALA 37 HA ALA 37 3.482 1.664 3.863 269 1HB ALA 37 1HB ALA 37 3.302 0.961 1.538 270 2HB ALA 37 2HB ALA 37 3.350 2.721 1.655 271 3HB ALA 37 3HB ALA 37 1.820 1.898 1.356 272 H ILE 38 H ILE 38 0.059 2.348 3.175 273 HA ILE 38 HA ILE 38 0.168 5.122 3.530 274 HB ILE 38 HB ILE 38 -2.129 3.235 4.049 275 1HG1 ILE 38 2HG1 ILE 38 -1.310 3.174 1.749 276 2HG1 ILE 38 1HG1 ILE 38 -2.882 3.958 1.814 277 1HG2 ILE 38 1HG2 ILE 38 -2.185 6.232 3.706 278 2HG2 ILE 38 2HG2 ILE 38 -2.459 5.360 5.214 279 3HG2 ILE 38 3HG2 ILE 38 -3.589 5.176 3.873 280 1HD1 ILE 38 1HD1 ILE 38 -1.814 6.140 1.656 281 2HD1 ILE 38 2HD1 ILE 38 -1.377 5.106 0.294 282 3HD1 ILE 38 3HD1 ILE 38 -0.233 5.361 1.610 283 H LYS 39 H LYS 39 -0.651 2.593 5.906 284 HA LYS 39 HA LYS 39 -1.013 4.411 8.041 285 1HB LYS 39 2HB LYS 39 -0.642 2.300 9.471 286 2HB LYS 39 1HB LYS 39 -2.036 2.364 8.404 287 1HG LYS 39 2HG LYS 39 -0.868 0.995 6.771 288 2HG LYS 39 1HG LYS 39 0.557 0.958 7.810 289 1HD LYS 39 2HD LYS 39 -2.121 -0.001 8.769 290 2HD LYS 39 1HD LYS 39 -1.023 -1.059 7.883 291 1HE LYS 39 2HE LYS 39 -0.315 0.416 10.419 292 2HE LYS 39 1HE LYS 39 -0.837 -1.267 10.351 293 1HZ LYS 39 1HZ LYS 39 1.608 -0.975 10.439 294 2HZ LYS 39 2HZ LYS 39 1.542 -0.216 8.929 295 3HZ LYS 39 3HZ LYS 39 1.082 -1.838 9.075 296 H LEU 40 H LEU 40 1.821 2.752 6.794 297 HA LEU 40 HA LEU 40 3.564 3.314 8.926 298 1HB LEU 40 2HB LEU 40 3.986 2.825 5.991 299 2HB LEU 40 1HB LEU 40 5.322 3.151 7.061 300 HG LEU 40 HG LEU 40 3.419 0.841 7.285 301 1HD1 LEU 40 1HD1 LEU 40 6.310 0.959 6.457 302 2HD1 LEU 40 2HD1 LEU 40 4.935 0.590 5.418 303 3HD1 LEU 40 3HD1 LEU 40 5.382 -0.518 6.714 304 1HD2 LEU 40 1HD2 LEU 40 5.842 1.528 8.940 305 2HD2 LEU 40 2HD2 LEU 40 4.920 0.029 9.046 306 3HD2 LEU 40 3HD2 LEU 40 4.163 1.561 9.483 307 H LEU 41 H LEU 41 2.772 5.148 5.988 308 HA LEU 41 HA LEU 41 4.563 7.278 6.500 309 1HB LEU 41 2HB LEU 41 2.229 6.868 4.700 310 2HB LEU 41 1HB LEU 41 2.768 8.512 4.977 311 HG LEU 41 HG LEU 41 5.021 7.890 4.150 312 1HD1 LEU 41 1HD1 LEU 41 3.739 5.248 3.490 313 2HD1 LEU 41 2HD1 LEU 41 4.996 5.523 4.696 314 3HD1 LEU 41 3HD1 LEU 41 5.344 5.777 2.986 315 1HD2 LEU 41 1HD2 LEU 41 3.363 8.873 2.653 316 2HD2 LEU 41 2HD2 LEU 41 2.761 7.262 2.257 317 3HD2 LEU 41 3HD2 LEU 41 4.399 7.728 1.799 318 H VAL 42 H VAL 42 1.236 6.669 7.479 319 HA VAL 42 HA VAL 42 0.641 9.220 8.503 320 HB VAL 42 HB VAL 42 -0.359 6.526 9.450 321 1HG1 VAL 42 1HG1 VAL 42 -0.714 8.227 11.158 322 2HG1 VAL 42 2HG1 VAL 42 -2.245 7.769 10.414 323 3HG1 VAL 42 3HG1 VAL 42 -1.466 9.287 9.967 324 1HG2 VAL 42 1HG2 VAL 42 -2.338 7.064 8.083 325 2HG2 VAL 42 2HG2 VAL 42 -0.869 6.916 7.118 326 3HG2 VAL 42 3HG2 VAL 42 -1.518 8.513 7.499 327 H ILE 43 H ILE 43 2.382 6.496 9.875 328 HA ILE 43 HA ILE 43 2.425 7.295 12.557 329 HB ILE 43 HB ILE 43 4.487 5.692 11.038 330 1HG1 ILE 43 2HG1 ILE 43 2.141 4.815 12.744 331 2HG1 ILE 43 1HG1 ILE 43 2.206 4.754 10.984 332 1HG2 ILE 43 1HG2 ILE 43 5.423 6.557 13.112 333 2HG2 ILE 43 2HG2 ILE 43 5.144 4.820 13.242 334 3HG2 ILE 43 3HG2 ILE 43 4.031 5.952 14.008 335 1HD1 ILE 43 1HD1 ILE 43 2.610 2.575 11.990 336 2HD1 ILE 43 2HD1 ILE 43 3.997 3.228 12.861 337 3HD1 ILE 43 3HD1 ILE 43 4.020 3.143 11.099 338 H GLU 44 H GLU 44 4.744 8.018 9.929 339 HA GLU 44 HA GLU 44 6.460 9.527 11.660 340 1HB GLU 44 2HB GLU 44 7.678 10.160 9.669 341 2HB GLU 44 1HB GLU 44 7.294 8.445 9.596 342 1HG GLU 44 2HG GLU 44 5.597 8.800 7.992 343 2HG GLU 44 1HG GLU 44 5.638 10.545 8.239 344 H ASN 45 H ASN 45 3.696 10.251 9.685 345 HA ASN 45 HA ASN 45 4.107 13.096 9.724 346 1HB ASN 45 2HB ASN 45 1.916 11.302 8.746 347 2HB ASN 45 1HB ASN 45 1.609 13.025 8.942 348 1HD2 ASN 45 1HD2 ASN 45 3.438 10.615 7.193 349 2HD2 ASN 45 2HD2 ASN 45 3.957 11.669 5.921 350 H ASN 46 H ASN 46 2.798 10.794 11.861 351 HA ASN 46 HA ASN 46 1.964 10.968 13.965 352 1HB ASN 46 2HB ASN 46 3.963 12.523 14.090 353 2HB ASN 46 1HB ASN 46 2.849 13.856 13.834 354 1HD2 ASN 46 1HD2 ASN 46 1.618 14.573 15.496 355 2HD2 ASN 46 2HD2 ASN 46 1.769 13.998 17.120 356 H LEU 47 H LEU 47 0.197 11.382 11.768 357 HA LEU 47 HA LEU 47 -1.543 13.581 12.293 358 1HB LEU 47 2HB LEU 47 -2.018 11.063 10.708 359 2HB LEU 47 1HB LEU 47 -3.046 12.479 10.692 360 HG LEU 47 HG LEU 47 -0.192 12.383 9.714 361 1HD1 LEU 47 1HD1 LEU 47 -1.162 12.631 7.495 362 2HD1 LEU 47 2HD1 LEU 47 -2.784 12.572 8.185 363 3HD1 LEU 47 3HD1 LEU 47 -1.738 11.156 8.268 364 1HD2 LEU 47 1HD2 LEU 47 -0.613 14.630 8.882 365 2HD2 LEU 47 2HD2 LEU 47 -0.814 14.566 10.634 366 3HD2 LEU 47 3HD2 LEU 47 -2.231 14.601 9.585 367 H LYS 48 H LYS 48 -2.271 13.532 14.373 368 HA LYS 48 HA LYS 48 -3.184 11.174 15.683 369 1HB LYS 48 2HB LYS 48 -2.303 13.326 16.749 370 2HB LYS 48 1HB LYS 48 -3.901 13.998 16.453 371 1HG LYS 48 2HG LYS 48 -4.875 12.171 17.802 372 2HG LYS 48 1HG LYS 48 -3.246 11.604 18.159 373 1HD LYS 48 2HD LYS 48 -4.442 14.265 18.913 374 2HD LYS 48 1HD LYS 48 -4.043 12.937 20.000 375 1HE LYS 48 2HE LYS 48 -1.661 13.186 19.326 376 2HE LYS 48 1HE LYS 48 -2.120 14.611 18.393 377 1HZ LYS 48 1HZ LYS 48 -2.173 14.231 21.325 378 2HZ LYS 48 2HZ LYS 48 -3.079 15.452 20.579 379 3HZ LYS 48 3HZ LYS 48 -1.389 15.444 20.429 380 H GLU 49 H GLU 49 -4.648 13.473 13.585 381 HA GLU 49 HA GLU 49 -7.351 13.238 14.140 382 1HB GLU 49 2HB GLU 49 -6.375 14.772 12.462 383 2HB GLU 49 1HB GLU 49 -6.037 13.398 11.425 384 1HG GLU 49 2HG GLU 49 -7.982 14.390 10.576 385 2HG GLU 49 1HG GLU 49 -8.513 12.938 11.420 386 H ILE 50 H ILE 50 -5.218 11.122 12.320 387 HA ILE 50 HA ILE 50 -7.392 9.397 11.494 388 HB ILE 50 HB ILE 50 -4.404 9.148 11.063 389 1HG1 ILE 50 2HG1 ILE 50 -5.362 11.106 9.956 390 2HG1 ILE 50 1HG1 ILE 50 -4.905 9.889 8.770 391 1HG2 ILE 50 1HG2 ILE 50 -4.980 7.493 9.341 392 2HG2 ILE 50 2HG2 ILE 50 -6.671 7.594 9.826 393 3HG2 ILE 50 3HG2 ILE 50 -5.468 6.970 10.953 394 1HD1 ILE 50 1HD1 ILE 50 -7.251 9.198 8.594 395 2HD1 ILE 50 2HD1 ILE 50 -7.030 10.904 8.201 396 3HD1 ILE 50 3HD1 ILE 50 -7.693 10.438 9.767 397 H THR 51 H THR 51 -4.784 9.398 13.882 398 HA THR 51 HA THR 51 -4.988 6.636 14.509 399 HB THR 51 HB THR 51 -3.747 7.218 16.594 400 HG1 THR 51 1HG THR 51 -3.714 9.226 17.232 401 1HG2 THR 51 1HG2 THR 51 -2.629 8.392 14.045 402 2HG2 THR 51 2HG2 THR 51 -2.537 6.700 14.537 403 3HG2 THR 51 3HG2 THR 51 -1.690 7.938 15.467 404 H ASN 52 H ASN 52 -6.426 9.563 15.933 405 HA ASN 52 HA ASN 52 -7.910 8.132 17.909 406 1HB ASN 52 2HB ASN 52 -8.272 10.898 16.745 407 2HB ASN 52 1HB ASN 52 -9.298 10.251 18.021 408 1HD2 ASN 52 1HD2 ASN 52 -7.604 12.566 18.119 409 2HD2 ASN 52 2HD2 ASN 52 -6.446 12.287 19.373 410 H ASN 53 H ASN 53 -8.267 8.609 14.573 411 HA ASN 53 HA ASN 53 -11.115 8.215 14.424 412 1HB ASN 53 2HB ASN 53 -9.723 9.473 12.726 413 2HB ASN 53 1HB ASN 53 -9.054 7.926 12.225 414 1HD2 ASN 53 1HD2 ASN 53 -11.753 10.035 12.131 415 2HD2 ASN 53 2HD2 ASN 53 -12.691 9.141 10.990 416 H VAL 54 H VAL 54 -8.224 6.296 13.659 417 HA VAL 54 HA VAL 54 -9.699 3.916 13.061 418 HB VAL 54 HB VAL 54 -7.395 4.575 12.188 419 1HG1 VAL 54 1HG1 VAL 54 -5.456 3.850 13.449 420 2HG1 VAL 54 2HG1 VAL 54 -6.490 3.405 14.806 421 3HG1 VAL 54 3HG1 VAL 54 -6.349 5.095 14.323 422 1HG2 VAL 54 1HG2 VAL 54 -6.652 2.241 12.010 423 2HG2 VAL 54 2HG2 VAL 54 -8.381 2.416 11.714 424 3HG2 VAL 54 3HG2 VAL 54 -7.809 1.788 13.261 425 H LYS 55 H LYS 55 -8.545 5.404 15.868 426 HA LYS 55 HA LYS 55 -8.159 3.388 17.704 427 1HB LYS 55 2HB LYS 55 -7.944 5.871 18.045 428 2HB LYS 55 1HB LYS 55 -9.688 5.939 18.222 429 1HG LYS 55 2HG LYS 55 -8.566 5.950 20.372 430 2HG LYS 55 1HG LYS 55 -9.567 4.512 20.181 431 1HD LYS 55 2HD LYS 55 -7.657 3.150 19.755 432 2HD LYS 55 1HD LYS 55 -6.604 4.562 19.630 433 1HE LYS 55 2HE LYS 55 -6.896 5.045 21.969 434 2HE LYS 55 1HE LYS 55 -8.097 3.764 22.122 435 1HZ LYS 55 1HZ LYS 55 -5.759 3.260 22.905 436 2HZ LYS 55 2HZ LYS 55 -5.322 3.197 21.266 437 3HZ LYS 55 3HZ LYS 55 -6.486 2.123 21.879 438 H ASN 56 H ASN 56 -11.096 4.435 16.197 439 HA ASN 56 HA ASN 56 -12.933 3.271 18.036 440 1HB ASN 56 2HB ASN 56 -13.599 5.038 16.475 441 2HB ASN 56 1HB ASN 56 -13.278 3.970 15.115 442 1HD2 ASN 56 1HD2 ASN 56 -15.365 4.098 14.357 443 2HD2 ASN 56 2HD2 ASN 56 -16.696 3.328 15.150 444 H LYS 57 H LYS 57 -11.443 2.162 15.041 445 HA LYS 57 HA LYS 57 -12.925 -0.309 15.084 446 1HB LYS 57 2HB LYS 57 -11.328 1.193 13.152 447 2HB LYS 57 1HB LYS 57 -11.084 -0.541 13.068 448 1HG LYS 57 2HG LYS 57 -13.861 0.535 13.130 449 2HG LYS 57 1HG LYS 57 -12.934 0.629 11.634 450 1HD LYS 57 2HD LYS 57 -14.259 -1.385 11.613 451 2HD LYS 57 1HD LYS 57 -12.556 -1.818 11.759 452 1HE LYS 57 2HE LYS 57 -12.835 -2.184 14.147 453 2HE LYS 57 1HE LYS 57 -14.522 -1.676 14.046 454 1HZ LYS 57 1HZ LYS 57 -14.268 -4.097 14.077 455 2HZ LYS 57 2HZ LYS 57 -13.361 -4.032 12.647 456 3HZ LYS 57 3HZ LYS 57 -14.990 -3.559 12.638 457 H GLY 58 H GLY 58 -10.004 0.829 16.291 458 1HA GLY 58 2HA GLY 58 -8.502 -0.289 17.666 459 2HA GLY 58 1HA GLY 58 -9.329 -1.791 17.299 460 H ARG 59 H ARG 59 -9.065 -1.448 14.424 461 HA ARG 59 HA ARG 59 -6.181 -1.556 14.015 462 1HB ARG 59 2HB ARG 59 -7.268 -3.889 14.404 463 2HB ARG 59 1HB ARG 59 -7.936 -3.669 12.793 464 1HG ARG 59 2HG ARG 59 -5.711 -3.472 11.861 465 2HG ARG 59 1HG ARG 59 -5.004 -3.592 13.471 466 1HD ARG 59 2HD ARG 59 -6.096 -5.846 13.672 467 2HD ARG 59 1HD ARG 59 -6.519 -5.712 11.964 468 HE ARG 59 HE ARG 59 -3.743 -5.257 12.326 469 1HH1 ARG 59 1HH1 ARG 59 -6.106 -7.845 12.386 470 2HH1 ARG 59 2HH1 ARG 59 -4.968 -9.076 11.933 471 1HH2 ARG 59 1HH2 ARG 59 -2.237 -6.856 11.756 472 2HH2 ARG 59 2HH2 ARG 59 -2.745 -8.505 11.589 473 H TRP 60 H TRP 60 -5.584 -1.309 11.806 474 HA TRP 60 HA TRP 60 -7.010 0.795 10.599 475 1HB TRP 60 2HB TRP 60 -4.726 -0.850 9.494 476 2HB TRP 60 1HB TRP 60 -5.281 0.689 8.846 477 HD1 TRP 60 HD TRP 60 -3.591 -0.760 12.001 478 HE1 TRP 60 1HE TRP 60 -2.205 1.107 13.101 479 HE3 TRP 60 3HE TRP 60 -4.967 3.142 8.997 480 HZ2 TRP 60 2HZ TRP 60 -1.737 3.871 12.731 481 HZ3 TRP 60 3HZ TRP 60 -4.000 5.365 9.435 482 HH2 TRP 60 HH TRP 60 -2.422 5.717 11.263 483 H LYS 61 H LYS 61 -8.242 0.916 8.809 484 HA LYS 61 HA LYS 61 -8.738 -1.528 7.258 485 1HB LYS 61 2HB LYS 61 -11.116 -0.918 7.047 486 2HB LYS 61 1HB LYS 61 -10.679 -1.187 8.728 487 1HG LYS 61 2HG LYS 61 -10.567 1.212 9.104 488 2HG LYS 61 1HG LYS 61 -10.949 1.509 7.409 489 1HD LYS 61 2HD LYS 61 -12.741 0.131 9.416 490 2HD LYS 61 1HD LYS 61 -12.925 1.784 8.830 491 1HE LYS 61 2HE LYS 61 -13.126 0.819 6.511 492 2HE LYS 61 1HE LYS 61 -13.217 -0.772 7.262 493 1HZ LYS 61 1HZ LYS 61 -15.111 1.484 7.669 494 2HZ LYS 61 2HZ LYS 61 -15.183 -0.001 8.492 495 3HZ LYS 61 3HZ LYS 61 -15.417 0.049 6.815 496 H SER 62 H SER 62 -9.220 -1.143 5.024 497 HA SER 62 HA SER 62 -7.669 0.778 3.794 498 1HB SER 62 2HB SER 62 -9.295 0.258 1.783 499 2HB SER 62 1HB SER 62 -8.210 -0.984 2.413 500 HG SER 62 HG SER 62 -9.859 -2.054 3.202 501 H GLU 63 H GLU 63 -11.050 1.000 4.719 502 HA GLU 63 HA GLU 63 -11.699 3.377 3.376 503 1HB GLU 63 2HB GLU 63 -13.401 1.956 4.363 504 2HB GLU 63 1HB GLU 63 -12.748 2.235 5.969 505 1HG GLU 63 2HG GLU 63 -13.376 4.587 5.822 506 2HG GLU 63 1HG GLU 63 -14.026 4.310 4.206 507 H ASN 64 H ASN 64 -10.315 2.833 6.591 508 HA ASN 64 HA ASN 64 -10.173 5.603 7.272 509 1HB ASN 64 2HB ASN 64 -10.183 4.018 9.075 510 2HB ASN 64 1HB ASN 64 -8.815 3.145 8.394 511 1HD2 ASN 64 1HD2 ASN 64 -9.815 5.976 10.179 512 2HD2 ASN 64 2HD2 ASN 64 -8.228 6.427 10.700 513 H LEU 65 H LEU 65 -8.080 3.303 5.692 514 HA LEU 65 HA LEU 65 -5.717 4.861 5.671 515 1HB LEU 65 2HB LEU 65 -6.650 2.691 3.790 516 2HB LEU 65 1HB LEU 65 -5.025 3.352 3.828 517 HG LEU 65 HG LEU 65 -6.296 1.974 6.192 518 1HD1 LEU 65 1HD1 LEU 65 -4.944 0.026 5.572 519 2HD1 LEU 65 2HD1 LEU 65 -4.469 0.838 4.080 520 3HD1 LEU 65 3HD1 LEU 65 -6.157 0.401 4.349 521 1HD2 LEU 65 1HD2 LEU 65 -3.990 1.798 6.968 522 2HD2 LEU 65 2HD2 LEU 65 -4.445 3.482 6.711 523 3HD2 LEU 65 3HD2 LEU 65 -3.435 2.650 5.527 524 H PHE 66 H PHE 66 -8.453 4.578 3.458 525 HA PHE 66 HA PHE 66 -7.469 6.269 1.432 526 1HB PHE 66 2HB PHE 66 -9.441 4.774 1.192 527 2HB PHE 66 1HB PHE 66 -10.347 5.833 2.266 528 HD1 PHE 66 2HD PHE 66 -8.713 5.598 -1.029 529 HD2 PHE 66 1HD PHE 66 -11.339 7.835 1.464 530 HE1 PHE 66 2HE PHE 66 -9.391 6.953 -2.968 531 HE2 PHE 66 1HE PHE 66 -12.022 9.195 -0.471 532 HZ PHE 66 HZ PHE 66 -11.049 8.757 -2.689 533 H LYS 67 H LYS 67 -9.283 6.883 4.380 534 HA LYS 67 HA LYS 67 -9.740 9.633 4.076 535 1HB LYS 67 2HB LYS 67 -10.398 7.795 5.945 536 2HB LYS 67 1HB LYS 67 -9.088 8.608 6.782 537 1HG LYS 67 2HG LYS 67 -10.256 10.763 6.436 538 2HG LYS 67 1HG LYS 67 -11.607 9.877 5.730 539 1HD LYS 67 2HD LYS 67 -10.549 9.618 8.542 540 2HD LYS 67 1HD LYS 67 -12.071 10.363 8.052 541 1HE LYS 67 2HE LYS 67 -11.354 7.459 7.651 542 2HE LYS 67 1HE LYS 67 -12.350 8.080 8.963 543 1HZ LYS 67 1HZ LYS 67 -13.943 8.875 7.310 544 2HZ LYS 67 2HZ LYS 67 -13.711 7.199 7.200 545 3HZ LYS 67 3HZ LYS 67 -12.989 8.230 6.061 546 H ALA 68 H ALA 68 -7.085 7.839 5.570 547 HA ALA 68 HA ALA 68 -5.533 10.059 6.352 548 1HB ALA 68 1HB ALA 68 -5.198 7.816 7.263 549 2HB ALA 68 2HB ALA 68 -3.702 8.464 6.590 550 3HB ALA 68 3HB ALA 68 -4.624 7.260 5.692 551 H SER 69 H SER 69 -5.553 8.136 3.384 552 HA SER 69 HA SER 69 -3.273 9.271 2.197 553 1HB SER 69 2HB SER 69 -5.726 8.094 0.868 554 2HB SER 69 1HB SER 69 -4.167 8.365 0.087 555 HG SER 69 HG SER 69 -4.770 6.586 2.214 556 H LYS 70 H LYS 70 -6.564 10.368 2.428 557 HA LYS 70 HA LYS 70 -6.516 12.375 0.449 558 1HB LYS 70 2HB LYS 70 -8.453 11.397 1.950 559 2HB LYS 70 1HB LYS 70 -8.025 12.726 3.008 560 1HG LYS 70 2HG LYS 70 -8.608 13.208 0.112 561 2HG LYS 70 1HG LYS 70 -9.911 13.065 1.291 562 1HD LYS 70 2HD LYS 70 -9.003 14.923 2.562 563 2HD LYS 70 1HD LYS 70 -7.620 15.025 1.466 564 1HE LYS 70 2HE LYS 70 -9.033 15.677 -0.351 565 2HE LYS 70 1HE LYS 70 -10.487 15.366 0.596 566 1HZ LYS 70 1HZ LYS 70 -8.467 17.412 1.335 567 2HZ LYS 70 2HZ LYS 70 -10.019 17.202 1.991 568 3HZ LYS 70 3HZ LYS 70 -9.838 17.750 0.394 569 H LEU 71 H LEU 71 -5.734 12.381 3.883 570 HA LEU 71 HA LEU 71 -4.940 15.116 3.984 571 1HB LEU 71 2HB LEU 71 -4.261 12.826 5.828 572 2HB LEU 71 1HB LEU 71 -3.968 14.519 6.175 573 HG LEU 71 HG LEU 71 -6.682 13.238 5.818 574 1HD1 LEU 71 1HD1 LEU 71 -6.943 13.697 8.208 575 2HD1 LEU 71 2HD1 LEU 71 -5.283 14.289 8.272 576 3HD1 LEU 71 3HD1 LEU 71 -5.600 12.594 7.903 577 1HD2 LEU 71 1HD2 LEU 71 -6.703 15.531 5.034 578 2HD2 LEU 71 2HD2 LEU 71 -5.899 16.068 6.510 579 3HD2 LEU 71 3HD2 LEU 71 -7.538 15.418 6.584 580 H LEU 72 H LEU 72 -3.265 12.090 3.371 581 HA LEU 72 HA LEU 72 -0.623 13.072 3.566 582 1HB LEU 72 2HB LEU 72 -1.743 10.732 2.029 583 2HB LEU 72 1HB LEU 72 -0.029 11.058 2.197 584 HG LEU 72 HG LEU 72 -1.929 10.437 4.461 585 1HD1 LEU 72 1HD1 LEU 72 -1.468 8.501 3.058 586 2HD1 LEU 72 2HD1 LEU 72 -0.680 8.347 4.629 587 3HD1 LEU 72 3HD1 LEU 72 0.265 8.794 3.209 588 1HD2 LEU 72 1HD2 LEU 72 1.059 10.845 4.474 589 2HD2 LEU 72 2HD2 LEU 72 0.071 10.358 5.852 590 3HD2 LEU 72 3HD2 LEU 72 -0.136 11.959 5.140 591 H ARG 73 H ARG 73 -3.015 13.604 1.232 592 HA ARG 73 HA ARG 73 -1.539 13.994 -1.106 593 1HB ARG 73 2HB ARG 73 -3.938 13.988 -1.158 594 2HB ARG 73 1HB ARG 73 -4.025 15.351 -0.056 595 1HG ARG 73 2HG ARG 73 -2.664 15.725 -2.681 596 2HG ARG 73 1HG ARG 73 -4.428 15.645 -2.635 597 1HD ARG 73 2HD ARG 73 -4.442 17.447 -0.957 598 2HD ARG 73 1HD ARG 73 -2.686 17.551 -1.072 599 HE ARG 73 HE ARG 73 -4.028 17.875 -3.602 600 1HH1 ARG 73 1HH1 ARG 73 -2.938 19.518 -0.708 601 2HH1 ARG 73 2HH1 ARG 73 -2.885 21.084 -1.455 602 1HH2 ARG 73 1HH2 ARG 73 -3.974 19.902 -4.592 603 2HH2 ARG 73 2HH2 ARG 73 -3.484 21.308 -3.686 604 H SER 74 H SER 74 -1.701 15.855 1.804 605 HA SER 74 HA SER 74 -0.848 18.353 0.860 606 1HB SER 74 2HB SER 74 -0.170 17.173 3.556 607 2HB SER 74 1HB SER 74 -0.381 18.876 3.144 608 HG SER 74 HG SER 74 -2.263 16.933 3.706 609 H ASN 75 H ASN 75 0.886 15.398 1.444 610 HA ASN 75 HA ASN 75 3.489 16.657 1.376 611 1HB ASN 75 2HB ASN 75 3.091 14.576 2.683 612 2HB ASN 75 1HB ASN 75 2.758 13.722 1.179 613 1HD2 ASN 75 1HD2 ASN 75 4.455 12.288 1.437 614 2HD2 ASN 75 2HD2 ASN 75 6.106 12.763 1.278 615 H ASN 76 H ASN 76 1.623 14.477 -0.714 616 HA ASN 76 HA ASN 76 2.579 15.755 -3.100 617 1HB ASN 76 2HB ASN 76 4.468 14.208 -2.504 618 2HB ASN 76 1HB ASN 76 3.350 12.859 -2.627 619 1HD2 ASN 76 1HD2 ASN 76 5.800 13.440 -4.100 620 2HD2 ASN 76 2HD2 ASN 76 5.352 13.446 -5.776 621 H THR 77 H THR 77 1.155 15.447 -4.747 622 HA THR 77 HA THR 77 -1.399 14.409 -4.073 623 HB THR 77 HB THR 77 -1.091 16.328 -5.599 624 HG1 THR 77 1HG THR 77 -2.552 14.043 -6.378 625 1HG2 THR 77 1HG2 THR 77 -0.100 14.253 -7.554 626 2HG2 THR 77 2HG2 THR 77 0.856 15.555 -6.847 627 3HG2 THR 77 3HG2 THR 77 -0.471 15.929 -7.949 628 H GLU 78 H GLU 78 1.384 12.897 -5.368 629 HA GLU 78 HA GLU 78 0.142 10.963 -7.004 630 1HB GLU 78 2HB GLU 78 2.814 11.073 -5.629 631 2HB GLU 78 1HB GLU 78 2.321 9.693 -6.591 632 1HG GLU 78 2HG GLU 78 1.961 11.237 -8.507 633 2HG GLU 78 1HG GLU 78 2.646 12.529 -7.524 634 H ILE 79 H ILE 79 0.717 11.107 -3.544 635 HA ILE 79 HA ILE 79 0.544 8.388 -2.943 636 HB ILE 79 HB ILE 79 -0.131 10.811 -1.289 637 1HG1 ILE 79 2HG1 ILE 79 1.833 9.946 0.042 638 2HG1 ILE 79 1HG1 ILE 79 2.081 8.748 -1.222 639 1HG2 ILE 79 1HG2 ILE 79 -1.626 9.006 -0.568 640 2HG2 ILE 79 2HG2 ILE 79 -0.415 9.379 0.659 641 3HG2 ILE 79 3HG2 ILE 79 -0.233 7.944 -0.352 642 1HD1 ILE 79 1HD1 ILE 79 2.207 11.732 -1.576 643 2HD1 ILE 79 2HD1 ILE 79 2.485 10.527 -2.833 644 3HD1 ILE 79 3HD1 ILE 79 3.586 10.641 -1.460 645 HA PRO 80 HA PRO 80 -4.262 8.862 -2.247 646 1HB PRO 80 2HB PRO 80 -5.388 10.940 -3.686 647 2HB PRO 80 1HB PRO 80 -5.060 10.965 -1.953 648 1HG PRO 80 2HG PRO 80 -3.467 12.113 -4.199 649 2HG PRO 80 1HG PRO 80 -3.780 12.778 -2.583 650 1HD PRO 80 2HD PRO 80 -1.431 11.629 -3.201 651 2HD PRO 80 1HD PRO 80 -2.157 11.459 -1.589 652 H ILE 81 H ILE 81 -2.752 9.855 -5.268 653 HA ILE 81 HA ILE 81 -4.712 8.677 -6.972 654 HB ILE 81 HB ILE 81 -1.838 9.428 -7.543 655 1HG1 ILE 81 2HG1 ILE 81 -4.422 10.881 -8.165 656 2HG1 ILE 81 1HG1 ILE 81 -3.288 11.323 -6.892 657 1HG2 ILE 81 1HG2 ILE 81 -2.581 7.774 -9.136 658 2HG2 ILE 81 2HG2 ILE 81 -2.509 9.353 -9.921 659 3HG2 ILE 81 3HG2 ILE 81 -4.064 8.678 -9.433 660 1HD1 ILE 81 1HD1 ILE 81 -1.580 11.776 -8.568 661 2HD1 ILE 81 2HD1 ILE 81 -3.030 12.740 -8.851 662 3HD1 ILE 81 3HD1 ILE 81 -2.705 11.319 -9.847 663 H LEU 82 H LEU 82 -1.533 7.632 -5.788 664 HA LEU 82 HA LEU 82 -1.569 5.152 -7.183 665 1HB LEU 82 2HB LEU 82 0.026 5.945 -4.747 666 2HB LEU 82 1HB LEU 82 0.366 4.587 -5.807 667 HG LEU 82 HG LEU 82 0.447 7.492 -6.639 668 1HD1 LEU 82 1HD1 LEU 82 2.853 7.248 -6.662 669 2HD1 LEU 82 2HD1 LEU 82 2.712 5.587 -6.087 670 3HD1 LEU 82 3HD1 LEU 82 2.218 6.925 -5.051 671 1HD2 LEU 82 1HD2 LEU 82 -0.121 5.982 -8.471 672 2HD2 LEU 82 2HD2 LEU 82 1.292 4.994 -8.105 673 3HD2 LEU 82 3HD2 LEU 82 1.498 6.651 -8.673 674 H TRP 83 H TRP 83 -2.500 6.162 -3.924 675 HA TRP 83 HA TRP 83 -3.159 3.582 -2.972 676 1HB TRP 83 2HB TRP 83 -2.944 5.458 -1.424 677 2HB TRP 83 1HB TRP 83 -4.303 6.278 -2.188 678 HD1 TRP 83 HD TRP 83 -6.492 6.007 -0.891 679 HE1 TRP 83 1HE TRP 83 -7.497 4.259 0.710 680 HE3 TRP 83 3HE TRP 83 -2.712 2.562 -0.949 681 HZ2 TRP 83 2HZ TRP 83 -6.779 1.756 1.808 682 HZ3 TRP 83 3HZ TRP 83 -2.960 0.531 0.388 683 HH2 TRP 83 HH TRP 83 -4.950 0.143 1.742 684 H LYS 84 H LYS 84 -4.952 6.010 -4.819 685 HA LYS 84 HA LYS 84 -7.484 4.839 -4.767 686 1HB LYS 84 2HB LYS 84 -6.951 7.083 -5.737 687 2HB LYS 84 1HB LYS 84 -6.234 6.271 -7.122 688 1HG LYS 84 2HG LYS 84 -8.470 5.146 -7.455 689 2HG LYS 84 1HG LYS 84 -9.112 6.273 -6.261 690 1HD LYS 84 2HD LYS 84 -8.382 8.151 -7.654 691 2HD LYS 84 1HD LYS 84 -7.762 7.015 -8.854 692 1HE LYS 84 2HE LYS 84 -10.065 6.079 -9.053 693 2HE LYS 84 1HE LYS 84 -10.630 7.364 -7.988 694 1HZ LYS 84 1HZ LYS 84 -9.425 7.673 -10.678 695 2HZ LYS 84 2HZ LYS 84 -9.736 8.974 -9.638 696 3HZ LYS 84 3HZ LYS 84 -11.019 8.024 -10.219 697 H SER 85 H SER 85 -4.730 4.264 -6.900 698 HA SER 85 HA SER 85 -5.903 2.418 -8.625 699 1HB SER 85 2HB SER 85 -3.038 2.502 -7.647 700 2HB SER 85 1HB SER 85 -3.609 1.677 -9.097 701 HG SER 85 HG SER 85 -2.762 3.729 -9.607 702 H ALA 86 H ALA 86 -4.217 1.855 -5.529 703 HA ALA 86 HA ALA 86 -4.632 -0.964 -5.539 704 1HB ALA 86 1HB ALA 86 -2.866 0.077 -4.211 705 2HB ALA 86 2HB ALA 86 -3.947 -0.872 -3.190 706 3HB ALA 86 3HB ALA 86 -4.078 0.886 -3.219 707 H TRP 87 H TRP 87 -6.339 1.766 -4.115 708 HA TRP 87 HA TRP 87 -8.344 0.449 -2.712 709 1HB TRP 87 2HB TRP 87 -8.001 2.843 -2.532 710 2HB TRP 87 1HB TRP 87 -8.388 3.068 -4.226 711 HD1 TRP 87 HD TRP 87 -10.770 3.711 -4.746 712 HE1 TRP 87 1HE TRP 87 -12.995 3.798 -3.458 713 HE3 TRP 87 3HE TRP 87 -9.273 1.407 -0.443 714 HZ2 TRP 87 2HZ TRP 87 -13.980 2.985 -0.931 715 HZ3 TRP 87 3HZ TRP 87 -10.913 1.099 1.363 716 HH2 TRP 87 HH TRP 87 -13.217 1.873 1.125 717 H THR 88 H THR 88 -8.121 1.294 -6.128 718 HA THR 88 HA THR 88 -10.707 0.495 -6.897 719 HB THR 88 HB THR 88 -8.186 0.517 -8.581 720 HG1 THR 88 1HG THR 88 -8.750 2.557 -7.564 721 1HG2 THR 88 1HG2 THR 88 -10.023 -0.740 -9.610 722 2HG2 THR 88 2HG2 THR 88 -9.710 0.764 -10.477 723 3HG2 THR 88 3HG2 THR 88 -11.094 0.645 -9.391 724 H LEU 89 H LEU 89 -7.719 -1.301 -6.438 725 HA LEU 89 HA LEU 89 -8.535 -3.718 -7.664 726 1HB LEU 89 2HB LEU 89 -6.563 -3.252 -5.420 727 2HB LEU 89 1HB LEU 89 -6.748 -4.763 -6.287 728 HG LEU 89 HG LEU 89 -5.790 -2.151 -7.461 729 1HD1 LEU 89 1HD1 LEU 89 -4.353 -4.740 -6.906 730 2HD1 LEU 89 2HD1 LEU 89 -4.167 -3.240 -5.999 731 3HD1 LEU 89 3HD1 LEU 89 -3.664 -3.318 -7.687 732 1HD2 LEU 89 1HD2 LEU 89 -5.362 -3.452 -9.487 733 2HD2 LEU 89 2HD2 LEU 89 -7.080 -3.433 -9.089 734 3HD2 LEU 89 3HD2 LEU 89 -6.109 -4.864 -8.740 735 H HIS 90 H HIS 90 -9.217 -2.266 -4.595 736 HA HIS 90 HA HIS 90 -10.286 -4.701 -3.438 737 1HB HIS 90 2HB HIS 90 -9.168 -2.863 -2.099 738 2HB HIS 90 1HB HIS 90 -10.590 -1.874 -2.413 739 HD1 HIS 90 1HD HIS 90 -12.805 -2.555 -1.186 740 HD2 HIS 90 2HD HIS 90 -9.487 -4.857 -0.189 741 HE1 HIS 90 1HE HIS 90 -13.443 -3.790 0.907 742 HE2 HIS 90 2HE HIS 90 -11.368 -5.053 1.582 743 H VAL 91 H VAL 91 -11.410 -1.839 -5.087 744 HA VAL 91 HA VAL 91 -14.200 -2.262 -4.602 745 HB VAL 91 HB VAL 91 -12.891 -0.681 -6.826 746 1HG1 VAL 91 1HG1 VAL 91 -15.035 0.532 -6.896 747 2HG1 VAL 91 2HG1 VAL 91 -15.692 -0.596 -5.709 748 3HG1 VAL 91 3HG1 VAL 91 -15.216 -1.174 -7.306 749 1HG2 VAL 91 1HG2 VAL 91 -12.153 0.138 -4.668 750 2HG2 VAL 91 2HG2 VAL 91 -13.821 0.203 -4.098 751 3HG2 VAL 91 3HG2 VAL 91 -13.288 1.281 -5.387 752 H GLU 92 H GLU 92 -12.169 -2.670 -7.495 753 HA GLU 92 HA GLU 92 -13.989 -4.800 -8.390 754 1HB GLU 92 2HB GLU 92 -12.645 -2.738 -10.150 755 2HB GLU 92 1HB GLU 92 -13.647 -4.072 -10.710 756 1HG GLU 92 2HG GLU 92 -15.553 -3.116 -9.472 757 2HG GLU 92 1HG GLU 92 -14.537 -1.748 -9.020 758 H GLY 93 H GLY 93 -12.658 -6.357 -7.578 759 1HA GLY 93 2HA GLY 93 -10.429 -7.182 -9.106 760 2HA GLY 93 1HA GLY 93 -9.935 -6.498 -7.557 761 H PHE 94 H PHE 94 -9.835 -9.248 -8.553 762 HA PHE 94 HA PHE 94 -10.011 -11.349 -7.797 763 1HB PHE 94 2HB PHE 94 -11.463 -10.285 -5.381 764 2HB PHE 94 1HB PHE 94 -10.577 -11.789 -5.552 765 HD1 PHE 94 2HD PHE 94 -8.039 -11.559 -6.111 766 HD2 PHE 94 1HD PHE 94 -10.421 -8.483 -4.386 767 HE1 PHE 94 2HE PHE 94 -6.008 -10.464 -5.261 768 HE2 PHE 94 1HE PHE 94 -8.393 -7.381 -3.536 769 HZ PHE 94 HZ PHE 94 -6.182 -8.371 -3.974 770 H HIS 95 H HIS 95 -12.948 -9.485 -7.167 771 HA HIS 95 HA HIS 95 -14.719 -11.656 -7.728 772 1HB HIS 95 2HB HIS 95 -15.376 -9.817 -6.238 773 2HB HIS 95 1HB HIS 95 -15.221 -8.672 -7.563 774 HD1 HIS 95 1HD HIS 95 -17.354 -8.101 -8.669 775 HD2 HIS 95 2HD HIS 95 -17.482 -11.867 -6.895 776 HE1 HIS 95 1HE HIS 95 -19.706 -8.930 -8.998 777 HE2 HIS 95 2HE HIS 95 -19.746 -11.238 -7.988 778 H GLU 96 H GLU 96 -13.872 -12.335 -9.705 779 HA GLU 96 HA GLU 96 -14.083 -12.701 -11.926 780 1HB GLU 96 2HB GLU 96 -16.387 -11.906 -11.753 781 2HB GLU 96 1HB GLU 96 -15.841 -10.247 -11.951 782 1HG GLU 96 2HG GLU 96 -15.137 -10.675 -14.193 783 2HG GLU 96 1HG GLU 96 -15.445 -12.402 -14.010 784 H LEU 97 H LEU 97 -13.657 -9.243 -11.220 785 HA LEU 97 HA LEU 97 -12.064 -8.708 -13.496 786 1HB LEU 97 2HB LEU 97 -12.564 -7.260 -10.918 787 2HB LEU 97 1HB LEU 97 -11.311 -6.704 -12.008 788 HG LEU 97 HG LEU 97 -13.307 -5.418 -12.374 789 1HD1 LEU 97 1HD1 LEU 97 -12.876 -7.390 -14.612 790 2HD1 LEU 97 2HD1 LEU 97 -11.949 -5.917 -14.328 791 3HD1 LEU 97 3HD1 LEU 97 -13.656 -5.816 -14.763 792 1HD2 LEU 97 1HD2 LEU 97 -14.711 -8.027 -12.941 793 2HD2 LEU 97 2HD2 LEU 97 -15.404 -6.413 -13.109 794 3HD2 LEU 97 3HD2 LEU 97 -14.949 -7.016 -11.516 795 H SER 98 H SER 98 -10.475 -10.194 -13.664 796 HA SER 98 HA SER 98 -8.527 -10.447 -11.493 797 1HB SER 98 2HB SER 98 -8.645 -11.989 -14.093 798 2HB SER 98 1HB SER 98 -7.752 -12.415 -12.633 799 HG SER 98 HG SER 98 -10.582 -12.188 -12.777 800 H LEU 99 H LEU 99 -9.061 -8.774 -14.343 801 HA LEU 99 HA LEU 99 -7.880 -7.239 -15.498 802 1HB LEU 99 2HB LEU 99 -5.903 -7.594 -13.257 803 2HB LEU 99 1HB LEU 99 -5.796 -6.345 -14.482 804 HG LEU 99 HG LEU 99 -7.995 -6.644 -12.435 805 1HD1 LEU 99 1HD1 LEU 99 -5.887 -5.846 -11.496 806 2HD1 LEU 99 2HD1 LEU 99 -7.099 -4.565 -11.522 807 3HD1 LEU 99 3HD1 LEU 99 -5.810 -4.585 -12.726 808 1HD2 LEU 99 1HD2 LEU 99 -8.851 -5.763 -14.543 809 2HD2 LEU 99 2HD2 LEU 99 -7.582 -4.537 -14.552 810 3HD2 LEU 99 3HD2 LEU 99 -8.818 -4.514 -13.296 811 H ASN 100 H ASN 100 -5.219 -6.916 -16.071 812 HA ASN 100 HA ASN 100 -4.335 -9.511 -17.103 813 1HB ASN 100 2HB ASN 100 -3.777 -8.471 -19.274 814 2HB ASN 100 1HB ASN 100 -5.506 -8.430 -18.947 815 1HD2 ASN 100 1HD2 ASN 100 -6.517 -6.486 -18.628 816 2HD2 ASN 100 2HD2 ASN 100 -5.748 -4.964 -18.915 817 H GLU 101 H GLU 101 -2.085 -9.309 -18.038 818 HA GLU 101 HA GLU 101 -0.361 -8.695 -15.947 819 1HB GLU 101 2HB GLU 101 -0.035 -10.308 -17.863 820 2HB GLU 101 1HB GLU 101 0.420 -8.929 -18.848 821 1HG GLU 101 2HG GLU 101 2.296 -8.473 -17.385 822 2HG GLU 101 1HG GLU 101 1.824 -9.817 -16.343 823 H LYS 102 H LYS 102 -1.087 -6.841 -18.870 824 HA LYS 102 HA LYS 102 0.874 -4.895 -18.734 825 1HB LYS 102 2HB LYS 102 -0.614 -5.289 -20.625 826 2HB LYS 102 1HB LYS 102 -1.983 -4.748 -19.684 827 1HG LYS 102 2HG LYS 102 -1.337 -3.038 -21.186 828 2HG LYS 102 1HG LYS 102 -0.982 -2.522 -19.542 829 1HD LYS 102 2HD LYS 102 1.360 -2.972 -19.848 830 2HD LYS 102 1HD LYS 102 1.057 -3.697 -21.431 831 1HE LYS 102 2HE LYS 102 0.313 -1.556 -22.298 832 2HE LYS 102 1HE LYS 102 0.500 -0.820 -20.709 833 1HZ LYS 102 1HZ LYS 102 2.358 -0.351 -22.235 834 2HZ LYS 102 2HZ LYS 102 2.730 -2.004 -22.271 835 3HZ LYS 102 3HZ LYS 102 2.851 -1.143 -20.819 836 H GLU 103 H GLU 103 -2.380 -4.928 -17.332 837 HA GLU 103 HA GLU 103 -2.089 -2.374 -16.103 838 1HB GLU 103 2HB GLU 103 -4.114 -4.561 -15.636 839 2HB GLU 103 1HB GLU 103 -4.228 -2.923 -15.022 840 1HG GLU 103 2HG GLU 103 -4.129 -2.148 -17.421 841 2HG GLU 103 1HG GLU 103 -4.360 -3.837 -17.870 842 H VAL 104 H VAL 104 -1.810 -5.719 -14.974 843 HA VAL 104 HA VAL 104 -1.654 -5.121 -12.224 844 HB VAL 104 HB VAL 104 -0.603 -7.503 -13.756 845 1HG1 VAL 104 1HG1 VAL 104 0.629 -7.309 -11.666 846 2HG1 VAL 104 2HG1 VAL 104 -0.495 -8.666 -11.595 847 3HG1 VAL 104 3HG1 VAL 104 -0.882 -7.155 -10.772 848 1HG2 VAL 104 1HG2 VAL 104 -3.016 -7.245 -13.851 849 2HG2 VAL 104 2HG2 VAL 104 -3.089 -7.113 -12.094 850 3HG2 VAL 104 3HG2 VAL 104 -2.584 -8.627 -12.844 851 H LYS 105 H LYS 105 0.876 -5.421 -14.700 852 HA LYS 105 HA LYS 105 3.036 -5.310 -12.896 853 1HB LYS 105 2HB LYS 105 4.449 -4.955 -14.793 854 2HB LYS 105 1HB LYS 105 3.210 -6.116 -15.230 855 1HG LYS 105 2HG LYS 105 3.172 -4.841 -17.089 856 2HG LYS 105 1HG LYS 105 2.009 -3.929 -16.130 857 1HD LYS 105 2HD LYS 105 3.602 -2.422 -17.175 858 2HD LYS 105 1HD LYS 105 3.814 -2.410 -15.423 859 1HE LYS 105 2HE LYS 105 5.691 -3.973 -15.656 860 2HE LYS 105 1HE LYS 105 5.483 -3.950 -17.406 861 1HZ LYS 105 1HZ LYS 105 6.191 -1.613 -15.702 862 2HZ LYS 105 2HZ LYS 105 5.977 -1.574 -17.387 863 3HZ LYS 105 3HZ LYS 105 7.245 -2.467 -16.718 864 H LYS 106 H LYS 106 1.057 -2.835 -14.344 865 HA LYS 106 HA LYS 106 2.765 -0.645 -13.676 866 1HB LYS 106 2HB LYS 106 -0.200 -0.702 -14.248 867 2HB LYS 106 1HB LYS 106 0.758 0.759 -14.066 868 1HG LYS 106 2HG LYS 106 2.132 0.014 -16.004 869 2HG LYS 106 1HG LYS 106 0.992 -1.316 -16.228 870 1HD LYS 106 2HD LYS 106 0.341 1.629 -16.302 871 2HD LYS 106 1HD LYS 106 0.425 0.543 -17.692 872 1HE LYS 106 2HE LYS 106 -1.479 -0.661 -16.993 873 2HE LYS 106 1HE LYS 106 -1.435 0.058 -15.384 874 1HZ LYS 106 1HZ LYS 106 -1.993 1.558 -17.885 875 2HZ LYS 106 2HZ LYS 106 -2.061 2.168 -16.300 876 3HZ LYS 106 3HZ LYS 106 -3.178 0.995 -16.808 877 H LEU 107 H LEU 107 -0.160 -2.031 -12.229 878 HA LEU 107 HA LEU 107 -0.377 -0.309 -10.037 879 1HB LEU 107 2HB LEU 107 -1.664 -2.637 -10.958 880 2HB LEU 107 1HB LEU 107 -1.109 -3.023 -9.341 881 HG LEU 107 HG LEU 107 -3.370 -2.216 -9.216 882 1HD1 LEU 107 1HD1 LEU 107 -1.446 -0.099 -8.262 883 2HD1 LEU 107 2HD1 LEU 107 -1.894 -1.569 -7.394 884 3HD1 LEU 107 3HD1 LEU 107 -3.104 -0.323 -7.700 885 1HD2 LEU 107 1HD2 LEU 107 -3.409 -0.986 -11.324 886 2HD2 LEU 107 2HD2 LEU 107 -2.377 0.260 -10.622 887 3HD2 LEU 107 3HD2 LEU 107 -4.005 0.006 -9.992 888 H LYS 108 H LYS 108 1.499 -3.237 -10.520 889 HA LYS 108 HA LYS 108 2.457 -3.586 -7.915 890 1HB LYS 108 2HB LYS 108 2.653 -5.140 -9.953 891 2HB LYS 108 1HB LYS 108 4.051 -4.177 -10.407 892 1HG LYS 108 2HG LYS 108 3.858 -5.482 -7.715 893 2HG LYS 108 1HG LYS 108 4.438 -6.359 -9.127 894 1HD LYS 108 2HD LYS 108 5.613 -3.740 -8.232 895 2HD LYS 108 1HD LYS 108 6.206 -5.301 -7.664 896 1HE LYS 108 2HE LYS 108 6.063 -4.441 -10.553 897 2HE LYS 108 1HE LYS 108 7.516 -4.401 -9.554 898 1HZ LYS 108 1HZ LYS 108 7.149 -6.857 -9.214 899 2HZ LYS 108 2HZ LYS 108 7.620 -6.388 -10.775 900 3HZ LYS 108 3HZ LYS 108 6.004 -6.778 -10.461 901 H GLU 109 H GLU 109 3.579 -1.540 -10.562 902 HA GLU 109 HA GLU 109 5.925 -0.644 -9.178 903 1HB GLU 109 2HB GLU 109 4.506 0.329 -11.651 904 2HB GLU 109 1HB GLU 109 5.944 1.112 -11.010 905 1HG GLU 109 2HG GLU 109 7.216 -0.930 -11.301 906 2HG GLU 109 1HG GLU 109 5.775 -1.762 -11.883 907 H ASP 110 H ASP 110 2.663 0.612 -9.694 908 HA ASP 110 HA ASP 110 3.009 3.151 -8.550 909 1HB ASP 110 2HB ASP 110 0.569 1.357 -8.619 910 2HB ASP 110 1HB ASP 110 0.536 3.030 -8.075 911 H VAL 111 H VAL 111 1.995 0.092 -7.081 912 HA VAL 111 HA VAL 111 1.935 1.053 -4.421 913 HB VAL 111 HB VAL 111 2.350 -1.752 -5.477 914 1HG1 VAL 111 1HG1 VAL 111 1.696 -0.864 -2.668 915 2HG1 VAL 111 2HG1 VAL 111 3.231 -1.549 -3.204 916 3HG1 VAL 111 3HG1 VAL 111 1.765 -2.530 -3.244 917 1HG2 VAL 111 1HG2 VAL 111 -0.103 -0.371 -4.389 918 2HG2 VAL 111 2HG2 VAL 111 -0.008 -2.058 -4.893 919 3HG2 VAL 111 3HG2 VAL 111 0.201 -0.770 -6.079 920 H ARG 112 H ARG 112 4.472 -0.410 -6.389 921 HA ARG 112 HA ARG 112 6.451 -0.755 -4.467 922 1HB ARG 112 2HB ARG 112 6.688 -1.629 -6.700 923 2HB ARG 112 1HB ARG 112 6.665 -0.013 -7.387 924 1HG ARG 112 2HG ARG 112 8.806 0.481 -6.375 925 2HG ARG 112 1HG ARG 112 8.819 -1.098 -5.584 926 1HD ARG 112 2HD ARG 112 8.890 -2.220 -7.713 927 2HD ARG 112 1HD ARG 112 8.704 -0.689 -8.566 928 HE ARG 112 HE ARG 112 10.935 -0.089 -7.679 929 1HH1 ARG 112 1HH1 ARG 112 10.016 -3.463 -7.724 930 2HH1 ARG 112 2HH1 ARG 112 11.642 -4.041 -7.921 931 1HH2 ARG 112 1HH2 ARG 112 13.085 -0.843 -7.957 932 2HH2 ARG 112 2HH2 ARG 112 13.382 -2.560 -8.032 933 H LYS 113 H LYS 113 5.542 2.131 -6.281 934 HA LYS 113 HA LYS 113 7.574 3.856 -5.457 935 1HB LYS 113 2HB LYS 113 4.690 4.319 -6.213 936 2HB LYS 113 1HB LYS 113 5.789 5.640 -5.855 937 1HG LYS 113 2HG LYS 113 7.139 5.179 -7.716 938 2HG LYS 113 1HG LYS 113 6.425 3.581 -7.939 939 1HD LYS 113 2HD LYS 113 5.626 5.168 -9.625 940 2HD LYS 113 1HD LYS 113 4.315 4.600 -8.594 941 1HE LYS 113 2HE LYS 113 4.069 6.965 -8.943 942 2HE LYS 113 1HE LYS 113 4.514 6.673 -7.265 943 1HZ LYS 113 1HZ LYS 113 6.759 7.330 -7.738 944 2HZ LYS 113 2HZ LYS 113 5.705 8.551 -8.273 945 3HZ LYS 113 3HZ LYS 113 6.414 7.495 -9.387 946 H LEU 114 H LEU 114 4.437 3.144 -3.945 947 HA LEU 114 HA LEU 114 4.810 4.792 -1.688 948 1HB LEU 114 2HB LEU 114 2.894 2.828 -2.660 949 2HB LEU 114 1HB LEU 114 3.097 2.755 -0.925 950 HG LEU 114 HG LEU 114 2.594 5.170 -0.804 951 1HD1 LEU 114 1HD1 LEU 114 1.589 6.278 -2.745 952 2HD1 LEU 114 2HD1 LEU 114 2.002 4.877 -3.735 953 3HD1 LEU 114 3HD1 LEU 114 3.280 5.851 -3.011 954 1HD2 LEU 114 1HD2 LEU 114 0.848 3.518 -0.424 955 2HD2 LEU 114 2HD2 LEU 114 0.487 3.490 -2.151 956 3HD2 LEU 114 3HD2 LEU 114 0.194 4.953 -1.212 957 H VAL 115 H VAL 115 5.407 1.351 -2.304 958 HA VAL 115 HA VAL 115 5.998 0.599 0.322 959 HB VAL 115 HB VAL 115 6.963 -0.596 -2.279 960 1HG1 VAL 115 1HG1 VAL 115 7.523 -2.603 -0.996 961 2HG1 VAL 115 2HG1 VAL 115 7.112 -1.766 0.501 962 3HG1 VAL 115 3HG1 VAL 115 8.484 -1.223 -0.467 963 1HG2 VAL 115 1HG2 VAL 115 5.226 -2.273 -1.839 964 2HG2 VAL 115 2HG2 VAL 115 4.548 -0.649 -1.968 965 3HG2 VAL 115 3HG2 VAL 115 4.758 -1.396 -0.382 966 H ILE 116 H ILE 116 8.218 1.599 -2.280 967 HA ILE 116 HA ILE 116 10.591 1.341 -0.817 968 HB ILE 116 HB ILE 116 9.955 3.312 -3.028 969 1HG1 ILE 116 2HG1 ILE 116 11.358 0.629 -3.108 970 2HG1 ILE 116 1HG1 ILE 116 9.704 0.925 -3.633 971 1HG2 ILE 116 1HG2 ILE 116 11.892 4.064 -1.751 972 2HG2 ILE 116 2HG2 ILE 116 12.390 3.477 -3.339 973 3HG2 ILE 116 3HG2 ILE 116 12.635 2.472 -1.913 974 1HD1 ILE 116 1HD1 ILE 116 11.231 0.806 -5.517 975 2HD1 ILE 116 2HD1 ILE 116 12.176 2.137 -4.848 976 3HD1 ILE 116 3HD1 ILE 116 10.518 2.414 -5.381 977 H PHE 117 H PHE 117 8.143 3.834 -0.834 978 HA PHE 117 HA PHE 117 9.805 5.762 0.533 979 1HB PHE 117 2HB PHE 117 7.886 6.325 -1.054 980 2HB PHE 117 1HB PHE 117 6.800 5.864 0.253 981 HD1 PHE 117 2HD PHE 117 9.537 8.189 -0.642 982 HD2 PHE 117 1HD PHE 117 6.273 7.379 1.962 983 HE1 PHE 117 2HE PHE 117 9.725 10.455 0.293 984 HE2 PHE 117 1HE PHE 117 6.453 9.645 2.900 985 HZ PHE 117 HZ PHE 117 8.181 11.189 2.065 986 H ALA 118 H ALA 118 7.215 3.527 1.341 987 HA ALA 118 HA ALA 118 6.905 4.224 4.049 988 1HB ALA 118 1HB ALA 118 5.845 2.040 4.310 989 2HB ALA 118 2HB ALA 118 6.479 1.532 2.744 990 3HB ALA 118 3HB ALA 118 5.295 2.836 2.835 991 H VAL 119 H VAL 119 8.921 1.721 2.494 992 HA VAL 119 HA VAL 119 10.176 0.796 4.852 993 HB VAL 119 HB VAL 119 11.315 0.861 2.042 994 1HG1 VAL 119 1HG1 VAL 119 12.056 -0.857 4.418 995 2HG1 VAL 119 2HG1 VAL 119 13.035 0.439 3.731 996 3HG1 VAL 119 3HG1 VAL 119 12.714 -1.016 2.789 997 1HG2 VAL 119 1HG2 VAL 119 9.161 -0.281 2.110 998 2HG2 VAL 119 2HG2 VAL 119 9.721 -1.288 3.443 999 3HG2 VAL 119 3HG2 VAL 119 10.468 -1.437 1.853 1000 H ASN 120 H ASN 120 10.945 3.344 2.576 1001 HA ASN 120 HA ASN 120 13.425 4.181 3.551 1002 1HB ASN 120 2HB ASN 120 12.171 4.857 1.418 1003 2HB ASN 120 1HB ASN 120 11.311 6.015 2.422 1004 1HD2 ASN 120 1HD2 ASN 120 14.357 5.130 1.033 1005 2HD2 ASN 120 2HD2 ASN 120 15.126 6.659 1.245 1006 H SER 121 H SER 121 10.244 4.576 4.819 1007 HA SER 121 HA SER 121 10.793 6.829 6.497 1008 1HB SER 121 2HB SER 121 8.509 6.206 5.679 1009 2HB SER 121 1HB SER 121 8.564 4.790 6.727 1010 HG SER 121 HG SER 121 8.013 7.389 7.324 1011 H LEU 122 H LEU 122 10.946 3.335 6.823 1012 HA LEU 122 HA LEU 122 11.334 3.509 9.691 1013 1HB LEU 122 2HB LEU 122 11.151 1.222 7.761 1014 2HB LEU 122 1HB LEU 122 11.769 0.970 9.381 1015 HG LEU 122 HG LEU 122 9.609 1.934 10.257 1016 1HD1 LEU 122 1HD1 LEU 122 8.886 3.125 8.275 1017 2HD1 LEU 122 2HD1 LEU 122 7.680 1.926 8.746 1018 3HD1 LEU 122 3HD1 LEU 122 8.759 1.609 7.388 1019 1HD2 LEU 122 1HD2 LEU 122 10.058 -0.462 10.233 1020 2HD2 LEU 122 2HD2 LEU 122 9.433 -0.568 8.586 1021 3HD2 LEU 122 3HD2 LEU 122 8.357 -0.130 9.913 1022 H GLU 123 H GLU 123 13.275 3.593 6.893 1023 HA GLU 123 HA GLU 123 15.686 2.565 7.980 1024 1HB GLU 123 2HB GLU 123 15.292 4.613 5.792 1025 2HB GLU 123 1HB GLU 123 16.816 3.834 6.175 1026 1HG GLU 123 2HG GLU 123 15.688 1.641 5.664 1027 2HG GLU 123 1HG GLU 123 14.344 2.586 5.019 1028 H HIS 124 H HIS 124 13.946 5.422 8.461 1029 HA HIS 124 HA HIS 124 14.244 7.288 9.710 1030 1HB HIS 124 2HB HIS 124 15.392 5.839 11.364 1031 2HB HIS 124 1HB HIS 124 16.910 6.109 10.517 1032 HD1 HIS 124 1HD HIS 124 18.115 8.327 10.914 1033 HD2 HIS 124 2HD HIS 124 14.446 8.056 12.858 1034 HE1 HIS 124 1HE HIS 124 18.060 10.249 12.536 1035 HE2 HIS 124 2HE HIS 124 15.924 9.938 13.837 1036 H HIS 125 H HIS 125 14.815 9.294 9.113 1037 HA HIS 125 HA HIS 125 15.614 10.959 7.805 1038 1HB HIS 125 2HB HIS 125 17.837 10.325 8.742 1039 2HB HIS 125 1HB HIS 125 18.059 9.228 7.385 1040 HD1 HIS 125 1HD HIS 125 18.921 10.208 5.232 1041 HD2 HIS 125 2HD HIS 125 17.855 13.112 8.008 1042 HE1 HIS 125 1HE HIS 125 19.733 12.380 4.277 1043 HE2 HIS 125 2HE HIS 125 19.293 14.080 6.081 1044 H HIS 126 H HIS 126 14.396 11.158 6.058 1045 HA HIS 126 HA HIS 126 14.009 8.988 4.261 1046 1HB HIS 126 2HB HIS 126 12.937 11.742 4.505 1047 2HB HIS 126 1HB HIS 126 12.840 10.979 2.920 1048 HD1 HIS 126 1HD HIS 126 11.687 8.503 2.989 1049 HD2 HIS 126 2HD HIS 126 10.896 11.057 6.167 1050 HE1 HIS 126 1HE HIS 126 9.586 7.625 4.048 1051 HE2 HIS 126 2HE HIS 126 9.045 9.256 5.892 1052 H HIS 127 H HIS 127 15.448 8.365 2.905 1053 HA HIS 127 HA HIS 127 17.214 10.201 1.515 1054 1HB HIS 127 2HB HIS 127 18.251 8.178 2.211 1055 2HB HIS 127 1HB HIS 127 16.912 7.198 1.634 1056 HD1 HIS 127 1HD HIS 127 17.728 5.799 -0.195 1057 HD2 HIS 127 2HD HIS 127 19.314 9.643 -0.382 1058 HE1 HIS 127 1HE HIS 127 19.130 5.857 -2.287 1059 HE2 HIS 127 2HE HIS 127 19.975 8.229 -2.450 1060 H HIS 128 H HIS 128 16.194 11.354 -0.060 1061 HA HIS 128 HA HIS 128 14.783 9.848 -2.124 1062 1HB HIS 128 2HB HIS 128 12.957 11.605 -2.175 1063 2HB HIS 128 1HB HIS 128 12.911 10.479 -0.828 1064 HD1 HIS 128 1HD HIS 128 13.433 14.112 -1.638 1065 HD2 HIS 128 2HD HIS 128 13.329 11.618 1.694 1066 HE1 HIS 128 1HE HIS 128 13.279 15.641 0.359 1067 HE2 HIS 128 2HE HIS 128 13.059 14.105 2.351 1068 H HIS 129 H HIS 129 16.999 10.447 -2.958 1069 HA HIS 129 HA HIS 129 16.574 12.646 -4.790 1070 1HB HIS 129 2HB HIS 129 18.896 12.572 -2.871 1071 2HB HIS 129 1HB HIS 129 19.019 13.390 -4.424 1072 HD1 HIS 129 1HD HIS 129 17.790 13.808 -0.994 1073 HD2 HIS 129 2HD HIS 129 17.227 15.639 -4.687 1074 HE1 HIS 129 1HE HIS 129 16.723 16.031 -0.494 1075 HE2 HIS 129 2HE HIS 129 16.203 17.023 -2.753 Start of MODEL 6 1 1H MET 1 1HT MET 1 20.362 -8.713 7.412 2 2H MET 1 2HT MET 1 20.160 -7.811 8.832 3 3H MET 1 3HT MET 1 20.790 -7.073 7.440 4 HA MET 1 HA MET 1 18.734 -7.305 6.285 5 1HB MET 1 2HB MET 1 18.285 -9.410 7.966 6 2HB MET 1 1HB MET 1 17.251 -8.188 8.690 7 1HG MET 1 2HG MET 1 17.150 -9.126 5.833 8 2HG MET 1 1HG MET 1 16.029 -9.573 7.114 9 1HE MET 1 1HE MET 1 15.113 -8.443 4.287 10 2HE MET 1 2HE MET 1 13.852 -7.312 4.779 11 3HE MET 1 3HE MET 1 13.986 -8.879 5.574 12 H SER 2 H SER 2 17.456 -5.456 6.321 13 HA SER 2 HA SER 2 18.139 -3.508 8.308 14 1HB SER 2 2HB SER 2 16.086 -3.346 6.085 15 2HB SER 2 1HB SER 2 16.716 -1.987 7.016 16 HG SER 2 HG SER 2 18.668 -3.542 5.872 17 H ILE 3 H ILE 3 14.850 -4.226 7.179 18 HA ILE 3 HA ILE 3 14.028 -4.953 9.883 19 HB ILE 3 HB ILE 3 12.047 -3.463 9.813 20 1HG1 ILE 3 2HG1 ILE 3 13.459 -2.295 7.420 21 2HG1 ILE 3 1HG1 ILE 3 11.885 -3.069 7.442 22 1HG2 ILE 3 1HG2 ILE 3 14.686 -2.009 9.740 23 2HG2 ILE 3 2HG2 ILE 3 13.969 -2.808 11.140 24 3HG2 ILE 3 3HG2 ILE 3 13.189 -1.391 10.437 25 1HD1 ILE 3 1HD1 ILE 3 11.015 -1.242 8.824 26 2HD1 ILE 3 2HD1 ILE 3 11.648 -0.673 7.279 27 3HD1 ILE 3 3HD1 ILE 3 12.593 -0.458 8.751 28 H SER 4 H SER 4 11.655 -5.603 9.829 29 HA SER 4 HA SER 4 11.027 -6.828 7.237 30 1HB SER 4 2HB SER 4 10.060 -8.765 8.595 31 2HB SER 4 1HB SER 4 11.817 -8.653 8.518 32 HG SER 4 HG SER 4 10.681 -7.277 10.619 33 H THR 5 H THR 5 9.724 -4.929 6.966 34 HA THR 5 HA THR 5 7.368 -4.715 8.651 35 HB THR 5 HB THR 5 6.815 -2.806 7.048 36 HG1 THR 5 1HG THR 5 9.157 -2.200 6.165 37 1HG2 THR 5 1HG2 THR 5 8.394 -1.275 8.097 38 2HG2 THR 5 2HG2 THR 5 9.412 -2.633 8.581 39 3HG2 THR 5 3HG2 THR 5 7.799 -2.446 9.274 40 H SER 6 H SER 6 5.231 -4.728 7.727 41 HA SER 6 HA SER 6 4.700 -7.013 6.234 42 1HB SER 6 2HB SER 6 2.389 -5.793 5.974 43 2HB SER 6 1HB SER 6 2.938 -6.316 7.568 44 HG SER 6 HG SER 6 2.184 -4.143 7.562 45 H ALA 7 H ALA 7 5.133 -3.679 5.211 46 HA ALA 7 HA ALA 7 4.180 -3.866 2.589 47 1HB ALA 7 1HB ALA 7 6.474 -2.189 3.614 48 2HB ALA 7 2HB ALA 7 4.767 -1.747 3.668 49 3HB ALA 7 3HB ALA 7 5.581 -1.925 2.114 50 H GLU 8 H GLU 8 7.523 -4.257 3.777 51 HA GLU 8 HA GLU 8 8.664 -5.098 1.364 52 1HB GLU 8 2HB GLU 8 9.404 -5.659 4.235 53 2HB GLU 8 1HB GLU 8 10.377 -6.216 2.884 54 1HG GLU 8 2HG GLU 8 9.690 -3.332 3.347 55 2HG GLU 8 1HG GLU 8 11.151 -4.101 3.967 56 H VAL 9 H VAL 9 7.274 -6.971 4.026 57 HA VAL 9 HA VAL 9 7.896 -9.525 3.072 58 HB VAL 9 HB VAL 9 5.609 -8.631 4.839 59 1HG1 VAL 9 1HG1 VAL 9 5.095 -10.790 3.822 60 2HG1 VAL 9 2HG1 VAL 9 5.421 -10.953 5.548 61 3HG1 VAL 9 3HG1 VAL 9 6.648 -11.423 4.372 62 1HG2 VAL 9 1HG2 VAL 9 7.842 -8.163 5.722 63 2HG2 VAL 9 2HG2 VAL 9 8.282 -9.856 5.511 64 3HG2 VAL 9 3HG2 VAL 9 7.024 -9.410 6.661 65 H TYR 10 H TYR 10 4.891 -7.632 2.668 66 HA TYR 10 HA TYR 10 3.668 -9.697 1.121 67 1HB TYR 10 2HB TYR 10 2.873 -6.893 1.819 68 2HB TYR 10 1HB TYR 10 1.951 -7.828 0.642 69 HD1 TYR 10 2HD TYR 10 1.461 -10.340 1.499 70 HD2 TYR 10 1HD TYR 10 2.115 -6.960 4.001 71 HE1 TYR 10 2HE TYR 10 0.286 -11.477 3.331 72 HE2 TYR 10 1HE TYR 10 0.943 -8.095 5.841 73 HH TYR 10 HH TYR 10 0.307 -11.371 5.852 74 H TYR 11 H TYR 11 5.561 -6.860 0.317 75 HA TYR 11 HA TYR 11 4.978 -6.903 -2.464 76 1HB TYR 11 2HB TYR 11 6.113 -5.010 -1.268 77 2HB TYR 11 1HB TYR 11 7.551 -6.015 -1.134 78 HD1 TYR 11 1HD TYR 11 5.280 -4.386 -3.576 79 HD2 TYR 11 2HD TYR 11 9.104 -6.139 -2.918 80 HE1 TYR 11 1HE TYR 11 6.016 -3.596 -5.784 81 HE2 TYR 11 2HE TYR 11 9.848 -5.348 -5.125 82 HH TYR 11 HH TYR 11 8.864 -4.696 -7.275 83 H GLU 12 H GLU 12 7.336 -8.517 -0.417 84 HA GLU 12 HA GLU 12 8.728 -9.887 -2.466 85 1HB GLU 12 2HB GLU 12 9.490 -9.517 -0.090 86 2HB GLU 12 1HB GLU 12 8.345 -10.753 0.407 87 1HG GLU 12 2HG GLU 12 9.521 -12.413 -0.907 88 2HG GLU 12 1HG GLU 12 10.635 -11.181 -1.497 89 H GLU 13 H GLU 13 5.855 -10.632 -0.557 90 HA GLU 13 HA GLU 13 5.376 -13.245 -1.463 91 1HB GLU 13 2HB GLU 13 3.407 -11.074 -0.705 92 2HB GLU 13 1HB GLU 13 2.978 -12.759 -0.954 93 1HG GLU 13 2HG GLU 13 4.978 -11.858 1.096 94 2HG GLU 13 1HG GLU 13 3.255 -12.034 1.429 95 H ALA 14 H ALA 14 4.330 -10.114 -2.780 96 HA ALA 14 HA ALA 14 2.894 -11.070 -4.975 97 1HB ALA 14 1HB ALA 14 3.247 -8.851 -5.953 98 2HB ALA 14 2HB ALA 14 4.480 -8.516 -4.737 99 3HB ALA 14 3HB ALA 14 2.801 -8.750 -4.251 100 H GLU 15 H GLU 15 6.335 -10.362 -4.606 101 HA GLU 15 HA GLU 15 7.147 -10.860 -7.246 102 1HB GLU 15 2HB GLU 15 8.637 -11.284 -4.647 103 2HB GLU 15 1HB GLU 15 9.383 -11.304 -6.238 104 1HG GLU 15 2HG GLU 15 7.883 -8.940 -5.150 105 2HG GLU 15 1HG GLU 15 9.616 -9.174 -4.934 106 H GLU 16 H GLU 16 6.869 -13.046 -4.447 107 HA GLU 16 HA GLU 16 7.808 -15.352 -5.626 108 1HB GLU 16 2HB GLU 16 7.394 -14.874 -3.195 109 2HB GLU 16 1HB GLU 16 5.687 -15.124 -3.519 110 1HG GLU 16 2HG GLU 16 6.200 -17.349 -4.336 111 2HG GLU 16 1HG GLU 16 7.881 -17.103 -3.896 112 H PHE 17 H PHE 17 4.523 -14.093 -5.320 113 HA PHE 17 HA PHE 17 3.294 -16.265 -6.680 114 1HB PHE 17 2HB PHE 17 2.316 -13.491 -6.028 115 2HB PHE 17 1HB PHE 17 1.322 -14.666 -6.881 116 HD1 PHE 17 2HD PHE 17 1.457 -17.099 -5.641 117 HD2 PHE 17 1HD PHE 17 1.854 -13.288 -3.799 118 HE1 PHE 17 2HE PHE 17 0.745 -18.069 -3.498 119 HE2 PHE 17 1HE PHE 17 1.153 -14.252 -1.646 120 HZ PHE 17 HZ PHE 17 0.594 -16.643 -1.494 121 H LEU 18 H LEU 18 4.702 -13.265 -7.785 122 HA LEU 18 HA LEU 18 3.711 -13.251 -10.406 123 1HB LEU 18 2HB LEU 18 5.000 -11.401 -9.447 124 2HB LEU 18 1HB LEU 18 6.432 -12.411 -9.401 125 HG LEU 18 HG LEU 18 6.359 -12.545 -11.889 126 1HD1 LEU 18 1HD1 LEU 18 4.191 -10.471 -11.602 127 2HD1 LEU 18 2HD1 LEU 18 3.980 -12.115 -12.199 128 3HD1 LEU 18 3HD1 LEU 18 4.956 -10.966 -13.112 129 1HD2 LEU 18 1HD2 LEU 18 7.146 -10.246 -12.262 130 2HD2 LEU 18 2HD2 LEU 18 7.815 -10.953 -10.793 131 3HD2 LEU 18 3HD2 LEU 18 6.499 -9.783 -10.688 132 H SER 19 H SER 19 6.447 -14.949 -8.948 133 HA SER 19 HA SER 19 7.149 -16.218 -11.449 134 1HB SER 19 2HB SER 19 8.675 -17.560 -9.792 135 2HB SER 19 1HB SER 19 9.038 -15.875 -10.158 136 HG SER 19 HG SER 19 7.427 -16.624 -7.950 137 H LYS 20 H LYS 20 4.889 -16.753 -9.024 138 HA LYS 20 HA LYS 20 4.768 -19.630 -9.274 139 1HB LYS 20 2HB LYS 20 4.151 -18.317 -7.186 140 2HB LYS 20 1HB LYS 20 2.721 -17.773 -8.045 141 1HG LYS 20 2HG LYS 20 2.322 -19.668 -6.497 142 2HG LYS 20 1HG LYS 20 1.860 -19.998 -8.169 143 1HD LYS 20 2HD LYS 20 3.743 -21.370 -8.526 144 2HD LYS 20 1HD LYS 20 4.546 -20.784 -7.068 145 1HE LYS 20 2HE LYS 20 1.963 -22.326 -7.012 146 2HE LYS 20 1HE LYS 20 3.545 -23.103 -6.937 147 1HZ LYS 20 1HZ LYS 20 2.416 -21.162 -4.988 148 2HZ LYS 20 2HZ LYS 20 4.017 -21.708 -4.960 149 3HZ LYS 20 3HZ LYS 20 2.750 -22.801 -4.724 150 H GLY 21 H GLY 21 3.713 -16.936 -10.996 151 1HA GLY 21 2HA GLY 21 2.649 -16.892 -13.050 152 2HA GLY 21 1HA GLY 21 2.312 -18.609 -12.874 153 H ASP 22 H ASP 22 1.449 -16.332 -10.377 154 HA ASP 22 HA ASP 22 -1.363 -16.559 -11.235 155 1HB ASP 22 2HB ASP 22 -0.752 -17.902 -9.166 156 2HB ASP 22 1HB ASP 22 -0.468 -16.364 -8.358 157 H LEU 23 H LEU 23 -1.911 -14.652 -12.009 158 HA LEU 23 HA LEU 23 -0.602 -12.232 -11.289 159 1HB LEU 23 2HB LEU 23 -3.161 -12.652 -12.838 160 2HB LEU 23 1HB LEU 23 -2.261 -11.151 -12.748 161 HG LEU 23 HG LEU 23 -1.265 -13.716 -13.996 162 1HD1 LEU 23 1HD1 LEU 23 -2.149 -11.129 -15.270 163 2HD1 LEU 23 2HD1 LEU 23 -3.052 -12.644 -15.281 164 3HD1 LEU 23 3HD1 LEU 23 -1.499 -12.539 -16.110 165 1HD2 LEU 23 1HD2 LEU 23 -0.024 -10.969 -13.860 166 2HD2 LEU 23 2HD2 LEU 23 0.584 -12.319 -14.817 167 3HD2 LEU 23 3HD2 LEU 23 0.563 -12.427 -13.057 168 H VAL 24 H VAL 24 -3.556 -13.808 -10.272 169 HA VAL 24 HA VAL 24 -4.791 -11.487 -9.174 170 HB VAL 24 HB VAL 24 -5.352 -14.371 -8.467 171 1HG1 VAL 24 1HG1 VAL 24 -7.085 -11.909 -8.294 172 2HG1 VAL 24 2HG1 VAL 24 -6.319 -12.726 -6.931 173 3HG1 VAL 24 3HG1 VAL 24 -7.568 -13.550 -7.865 174 1HG2 VAL 24 1HG2 VAL 24 -6.525 -12.679 -10.674 175 2HG2 VAL 24 2HG2 VAL 24 -7.110 -14.271 -10.190 176 3HG2 VAL 24 3HG2 VAL 24 -5.495 -14.096 -10.876 177 H GLN 25 H GLN 25 -3.093 -14.271 -7.735 178 HA GLN 25 HA GLN 25 -3.167 -13.420 -5.082 179 1HB GLN 25 2HB GLN 25 -1.212 -15.130 -6.574 180 2HB GLN 25 1HB GLN 25 -1.115 -14.860 -4.835 181 1HG GLN 25 2HG GLN 25 -3.498 -15.986 -6.276 182 2HG GLN 25 1HG GLN 25 -2.286 -16.917 -5.427 183 1HE2 GLN 25 1HE2 GLN 25 -5.160 -16.686 -4.952 184 2HE2 GLN 25 2HE2 GLN 25 -5.321 -16.171 -3.306 185 H ALA 26 H ALA 26 -0.796 -12.761 -7.625 186 HA ALA 26 HA ALA 26 1.075 -11.361 -6.094 187 1HB ALA 26 1HB ALA 26 1.833 -10.388 -8.188 188 2HB ALA 26 2HB ALA 26 0.333 -10.873 -8.978 189 3HB ALA 26 3HB ALA 26 1.466 -12.100 -8.409 190 H CYS 27 H CYS 27 -1.711 -10.125 -7.941 191 HA CYS 27 HA CYS 27 -1.341 -7.419 -7.358 192 1HB CYS 27 2HB CYS 27 -3.914 -8.899 -7.926 193 2HB CYS 27 1HB CYS 27 -3.725 -7.150 -7.968 194 HG CYS 27 HG CYS 27 -2.501 -9.464 -10.140 195 H GLU 28 H GLU 28 -3.301 -9.854 -5.690 196 HA GLU 28 HA GLU 28 -4.456 -8.088 -3.823 197 1HB GLU 28 2HB GLU 28 -5.313 -10.348 -4.376 198 2HB GLU 28 1HB GLU 28 -3.938 -11.052 -3.539 199 1HG GLU 28 2HG GLU 28 -4.697 -9.958 -1.460 200 2HG GLU 28 1HG GLU 28 -6.121 -9.379 -2.322 201 H LYS 29 H LYS 29 -1.407 -9.808 -3.863 202 HA LYS 29 HA LYS 29 -0.968 -9.410 -1.057 203 1HB LYS 29 2HB LYS 29 0.476 -10.776 -3.242 204 2HB LYS 29 1HB LYS 29 1.458 -10.174 -1.910 205 1HG LYS 29 2HG LYS 29 0.751 -12.509 -1.593 206 2HG LYS 29 1HG LYS 29 0.164 -11.444 -0.318 207 1HD LYS 29 2HD LYS 29 -2.010 -11.305 -1.563 208 2HD LYS 29 1HD LYS 29 -1.398 -12.555 -2.648 209 1HE LYS 29 2HE LYS 29 -1.112 -14.056 -0.721 210 2HE LYS 29 1HE LYS 29 -1.786 -12.813 0.330 211 1HZ LYS 29 1HZ LYS 29 -3.845 -12.918 -1.024 212 2HZ LYS 29 2HZ LYS 29 -3.496 -14.367 -0.223 213 3HZ LYS 29 3HZ LYS 29 -3.183 -14.227 -1.880 214 H TYR 30 H TYR 30 0.319 -7.843 -4.035 215 HA TYR 30 HA TYR 30 1.873 -6.082 -2.372 216 1HB TYR 30 2HB TYR 30 2.386 -4.777 -4.386 217 2HB TYR 30 1HB TYR 30 2.736 -6.481 -4.590 218 HD1 TYR 30 1HD TYR 30 -0.128 -4.137 -5.248 219 HD2 TYR 30 2HD TYR 30 2.272 -7.360 -6.634 220 HE1 TYR 30 1HE TYR 30 -1.324 -4.102 -7.394 221 HE2 TYR 30 2HE TYR 30 1.076 -7.339 -8.777 222 HH TYR 30 HH TYR 30 -1.150 -6.604 -9.630 223 H TYR 31 H TYR 31 -1.363 -6.213 -3.416 224 HA TYR 31 HA TYR 31 -2.131 -3.546 -2.946 225 1HB TYR 31 2HB TYR 31 -3.776 -4.908 -3.921 226 2HB TYR 31 1HB TYR 31 -3.523 -6.207 -2.764 227 HD1 TYR 31 1HD TYR 31 -4.882 -2.742 -3.045 228 HD2 TYR 31 2HD TYR 31 -4.914 -6.431 -0.927 229 HE1 TYR 31 1HE TYR 31 -6.817 -1.971 -1.734 230 HE2 TYR 31 2HE TYR 31 -6.844 -5.670 0.386 231 HH TYR 31 HH TYR 31 -7.833 -3.473 1.088 232 H LYS 32 H LYS 32 -1.779 -6.336 -0.795 233 HA LYS 32 HA LYS 32 -2.444 -4.978 1.594 234 1HB LYS 32 2HB LYS 32 -1.014 -7.538 0.964 235 2HB LYS 32 1HB LYS 32 -1.015 -6.921 2.611 236 1HG LYS 32 2HG LYS 32 -3.495 -7.455 0.988 237 2HG LYS 32 1HG LYS 32 -2.811 -8.555 2.192 238 1HD LYS 32 2HD LYS 32 -3.245 -7.081 3.955 239 2HD LYS 32 1HD LYS 32 -3.470 -5.710 2.868 240 1HE LYS 32 2HE LYS 32 -5.522 -6.805 2.003 241 2HE LYS 32 1HE LYS 32 -5.314 -8.071 3.214 242 1HZ LYS 32 1HZ LYS 32 -6.852 -6.120 3.756 243 2HZ LYS 32 2HZ LYS 32 -5.436 -5.222 4.005 244 3HZ LYS 32 3HZ LYS 32 -5.747 -6.605 4.945 245 H ALA 33 H ALA 33 0.548 -5.354 -0.192 246 HA ALA 33 HA ALA 33 2.280 -4.293 1.773 247 1HB ALA 33 1HB ALA 33 3.090 -5.533 -0.182 248 2HB ALA 33 2HB ALA 33 3.857 -3.951 -0.052 249 3HB ALA 33 3HB ALA 33 2.571 -4.213 -1.232 250 H ALA 34 H ALA 34 0.252 -2.834 -0.690 251 HA ALA 34 HA ALA 34 1.317 -0.221 -0.528 252 1HB ALA 34 1HB ALA 34 0.015 -0.991 -2.442 253 2HB ALA 34 2HB ALA 34 -0.678 0.471 -1.743 254 3HB ALA 34 3HB ALA 34 -1.426 -1.096 -1.429 255 H GLU 35 H GLU 35 -1.601 -1.670 0.933 256 HA GLU 35 HA GLU 35 -2.399 0.689 2.267 257 1HB GLU 35 2HB GLU 35 -3.886 -0.780 3.584 258 2HB GLU 35 1HB GLU 35 -3.991 -1.081 1.857 259 1HG GLU 35 2HG GLU 35 -2.546 -3.043 2.120 260 2HG GLU 35 1HG GLU 35 -2.477 -2.744 3.856 261 H GLU 36 H GLU 36 -0.418 -2.043 3.260 262 HA GLU 36 HA GLU 36 -0.101 -1.238 5.952 263 1HB GLU 36 2HB GLU 36 1.388 -3.119 4.154 264 2HB GLU 36 1HB GLU 36 1.979 -2.766 5.774 265 1HG GLU 36 2HG GLU 36 -0.755 -3.854 5.119 266 2HG GLU 36 1HG GLU 36 0.616 -4.808 5.687 267 H ALA 37 H ALA 37 1.553 -0.341 3.006 268 HA ALA 37 HA ALA 37 3.685 1.059 4.332 269 1HB ALA 37 1HB ALA 37 4.157 2.004 2.131 270 2HB ALA 37 2HB ALA 37 2.629 1.371 1.516 271 3HB ALA 37 3HB ALA 37 3.904 0.261 2.018 272 H ILE 38 H ILE 38 0.534 1.920 2.967 273 HA ILE 38 HA ILE 38 0.645 4.683 3.353 274 HB ILE 38 HB ILE 38 -1.740 2.829 3.459 275 1HG1 ILE 38 2HG1 ILE 38 -0.584 2.901 1.299 276 2HG1 ILE 38 1HG1 ILE 38 -2.167 3.667 1.189 277 1HG2 ILE 38 1HG2 ILE 38 -1.704 5.844 3.348 278 2HG2 ILE 38 2HG2 ILE 38 -2.287 4.848 4.680 279 3HG2 ILE 38 3HG2 ILE 38 -3.131 4.832 3.134 280 1HD1 ILE 38 1HD1 ILE 38 -0.487 4.927 -0.036 281 2HD1 ILE 38 2HD1 ILE 38 0.475 5.096 1.434 282 3HD1 ILE 38 3HD1 ILE 38 -1.108 5.866 1.323 283 H LYS 39 H LYS 39 -0.456 2.110 5.564 284 HA LYS 39 HA LYS 39 -1.171 3.847 7.654 285 1HB LYS 39 2HB LYS 39 -1.348 1.945 9.062 286 2HB LYS 39 1HB LYS 39 -1.871 1.449 7.468 287 1HG LYS 39 2HG LYS 39 -0.645 -0.356 8.190 288 2HG LYS 39 1HG LYS 39 0.535 0.531 7.226 289 1HD LYS 39 2HD LYS 39 1.663 1.320 9.123 290 2HD LYS 39 1HD LYS 39 0.295 0.982 10.183 291 1HE LYS 39 2HE LYS 39 2.189 -0.588 10.472 292 2HE LYS 39 1HE LYS 39 0.678 -1.377 10.027 293 1HZ LYS 39 1HZ LYS 39 2.241 -0.692 7.735 294 2HZ LYS 39 2HZ LYS 39 1.596 -2.197 8.199 295 3HZ LYS 39 3HZ LYS 39 3.102 -1.695 8.800 296 H LEU 40 H LEU 40 1.901 2.529 6.686 297 HA LEU 40 HA LEU 40 3.382 3.112 8.999 298 1HB LEU 40 2HB LEU 40 4.099 2.821 6.097 299 2HB LEU 40 1HB LEU 40 5.303 3.221 7.290 300 HG LEU 40 HG LEU 40 3.626 0.732 7.284 301 1HD1 LEU 40 1HD1 LEU 40 6.546 1.137 6.673 302 2HD1 LEU 40 2HD1 LEU 40 5.288 0.739 5.503 303 3HD1 LEU 40 3HD1 LEU 40 5.717 -0.416 6.764 304 1HD2 LEU 40 1HD2 LEU 40 5.894 1.550 9.088 305 2HD2 LEU 40 2HD2 LEU 40 5.057 -0.003 9.111 306 3HD2 LEU 40 3HD2 LEU 40 4.190 1.471 9.543 307 H LEU 41 H LEU 41 2.750 5.024 6.066 308 HA LEU 41 HA LEU 41 4.240 7.296 6.761 309 1HB LEU 41 2HB LEU 41 1.924 6.788 4.957 310 2HB LEU 41 1HB LEU 41 2.331 8.449 5.332 311 HG LEU 41 HG LEU 41 4.612 8.065 4.443 312 1HD1 LEU 41 1HD1 LEU 41 3.511 5.389 3.617 313 2HD1 LEU 41 2HD1 LEU 41 4.771 5.669 4.818 314 3HD1 LEU 41 3HD1 LEU 41 5.063 6.066 3.124 315 1HD2 LEU 41 1HD2 LEU 41 2.360 7.409 2.554 316 2HD2 LEU 41 2HD2 LEU 41 3.958 7.999 2.090 317 3HD2 LEU 41 3HD2 LEU 41 2.878 9.024 3.036 318 H VAL 42 H VAL 42 1.006 6.303 7.642 319 HA VAL 42 HA VAL 42 0.023 8.710 8.679 320 HB VAL 42 HB VAL 42 -0.580 5.898 9.618 321 1HG1 VAL 42 1HG1 VAL 42 -2.699 6.791 10.404 322 2HG1 VAL 42 2HG1 VAL 42 -2.244 8.402 9.862 323 3HG1 VAL 42 3HG1 VAL 42 -1.360 7.636 11.183 324 1HG2 VAL 42 1HG2 VAL 42 -2.477 6.015 8.054 325 2HG2 VAL 42 2HG2 VAL 42 -0.921 6.117 7.227 326 3HG2 VAL 42 3HG2 VAL 42 -1.886 7.572 7.477 327 H ILE 43 H ILE 43 1.529 5.985 10.384 328 HA ILE 43 HA ILE 43 1.574 7.368 12.889 329 HB ILE 43 HB ILE 43 3.034 4.830 12.108 330 1HG1 ILE 43 2HG1 ILE 43 0.321 5.149 13.412 331 2HG1 ILE 43 1HG1 ILE 43 0.575 4.725 11.722 332 1HG2 ILE 43 1HG2 ILE 43 3.041 4.345 14.495 333 2HG2 ILE 43 2HG2 ILE 43 2.228 5.874 14.824 334 3HG2 ILE 43 3HG2 ILE 43 3.867 5.869 14.169 335 1HD1 ILE 43 1HD1 ILE 43 0.061 2.768 13.059 336 2HD1 ILE 43 2HD1 ILE 43 1.445 3.098 14.100 337 3HD1 ILE 43 3HD1 ILE 43 1.697 2.672 12.407 338 H GLU 44 H GLU 44 3.860 6.868 10.284 339 HA GLU 44 HA GLU 44 6.209 7.655 11.590 340 1HB GLU 44 2HB GLU 44 5.331 7.265 8.854 341 2HB GLU 44 1HB GLU 44 6.440 8.623 8.987 342 1HG GLU 44 2HG GLU 44 6.983 5.850 10.019 343 2HG GLU 44 1HG GLU 44 7.564 6.495 8.483 344 H ASN 45 H ASN 45 3.487 9.520 10.528 345 HA ASN 45 HA ASN 45 4.990 11.992 10.923 346 1HB ASN 45 2HB ASN 45 2.316 11.388 9.704 347 2HB ASN 45 1HB ASN 45 2.702 13.017 10.239 348 1HD2 ASN 45 1HD2 ASN 45 3.338 10.538 7.906 349 2HD2 ASN 45 2HD2 ASN 45 4.287 11.520 6.840 350 H ASN 46 H ASN 46 1.581 11.435 11.716 351 HA ASN 46 HA ASN 46 1.593 11.442 14.435 352 1HB ASN 46 2HB ASN 46 2.991 13.613 13.981 353 2HB ASN 46 1HB ASN 46 1.427 14.339 13.642 354 1HD2 ASN 46 1HD2 ASN 46 0.058 12.697 15.686 355 2HD2 ASN 46 2HD2 ASN 46 0.514 13.379 17.209 356 H LEU 47 H LEU 47 -0.079 10.739 12.166 357 HA LEU 47 HA LEU 47 -2.314 12.560 12.166 358 1HB LEU 47 2HB LEU 47 -2.022 9.824 10.947 359 2HB LEU 47 1HB LEU 47 -3.365 10.910 10.670 360 HG LEU 47 HG LEU 47 -0.499 11.385 9.854 361 1HD1 LEU 47 1HD1 LEU 47 -2.967 10.887 8.197 362 2HD1 LEU 47 2HD1 LEU 47 -1.669 9.727 8.484 363 3HD1 LEU 47 3HD1 LEU 47 -1.343 11.209 7.586 364 1HD2 LEU 47 1HD2 LEU 47 -1.374 13.387 8.729 365 2HD2 LEU 47 2HD2 LEU 47 -1.548 13.475 10.483 366 3HD2 LEU 47 3HD2 LEU 47 -2.946 13.103 9.475 367 H LYS 48 H LYS 48 -2.430 12.359 14.539 368 HA LYS 48 HA LYS 48 -3.054 10.019 15.920 369 1HB LYS 48 2HB LYS 48 -2.593 12.707 16.525 370 2HB LYS 48 1HB LYS 48 -4.201 12.378 17.152 371 1HG LYS 48 2HG LYS 48 -1.833 10.638 17.774 372 2HG LYS 48 1HG LYS 48 -2.276 12.040 18.747 373 1HD LYS 48 2HD LYS 48 -4.477 11.057 19.162 374 2HD LYS 48 1HD LYS 48 -4.036 9.655 18.185 375 1HE LYS 48 2HE LYS 48 -2.317 9.037 19.736 376 2HE LYS 48 1HE LYS 48 -2.538 10.528 20.650 377 1HZ LYS 48 1HZ LYS 48 -4.622 8.434 20.346 378 2HZ LYS 48 2HZ LYS 48 -4.692 9.801 21.343 379 3HZ LYS 48 3HZ LYS 48 -3.588 8.559 21.682 380 H GLU 49 H GLU 49 -5.170 12.289 14.257 381 HA GLU 49 HA GLU 49 -7.622 11.612 15.346 382 1HB GLU 49 2HB GLU 49 -6.994 12.256 12.474 383 2HB GLU 49 1HB GLU 49 -8.591 12.272 13.185 384 1HG GLU 49 2HG GLU 49 -7.687 14.027 14.788 385 2HG GLU 49 1HG GLU 49 -6.313 14.143 13.688 386 H ILE 50 H ILE 50 -5.684 9.972 12.933 387 HA ILE 50 HA ILE 50 -7.794 8.095 12.302 388 HB ILE 50 HB ILE 50 -4.925 8.247 11.345 389 1HG1 ILE 50 2HG1 ILE 50 -6.151 8.714 9.126 390 2HG1 ILE 50 1HG1 ILE 50 -7.560 9.048 10.119 391 1HG2 ILE 50 1HG2 ILE 50 -7.132 6.382 10.496 392 2HG2 ILE 50 2HG2 ILE 50 -5.651 5.945 11.348 393 3HG2 ILE 50 3HG2 ILE 50 -5.570 6.544 9.692 394 1HD1 ILE 50 1HD1 ILE 50 -6.343 10.835 11.248 395 2HD1 ILE 50 2HD1 ILE 50 -6.408 11.088 9.501 396 3HD1 ILE 50 3HD1 ILE 50 -4.928 10.493 10.255 397 H THR 51 H THR 51 -4.694 8.186 13.960 398 HA THR 51 HA THR 51 -4.339 5.517 14.573 399 HB THR 51 HB THR 51 -3.685 7.630 16.585 400 HG1 THR 51 1HG THR 51 -1.767 7.989 15.163 401 1HG2 THR 51 1HG2 THR 51 -1.603 6.351 16.749 402 2HG2 THR 51 2HG2 THR 51 -2.170 5.271 15.474 403 3HG2 THR 51 3HG2 THR 51 -3.011 5.326 17.025 404 H ASN 52 H ASN 52 -6.252 7.959 16.306 405 HA ASN 52 HA ASN 52 -6.996 6.379 18.509 406 1HB ASN 52 2HB ASN 52 -8.475 8.634 17.144 407 2HB ASN 52 1HB ASN 52 -8.984 7.908 18.664 408 1HD2 ASN 52 1HD2 ASN 52 -8.199 10.632 18.060 409 2HD2 ASN 52 2HD2 ASN 52 -6.873 10.994 19.118 410 H ASN 53 H ASN 53 -8.482 6.762 15.323 411 HA ASN 53 HA ASN 53 -10.749 5.151 15.952 412 1HB ASN 53 2HB ASN 53 -9.656 6.375 13.440 413 2HB ASN 53 1HB ASN 53 -10.973 5.215 13.370 414 1HD2 ASN 53 1HD2 ASN 53 -10.025 8.419 14.295 415 2HD2 ASN 53 2HD2 ASN 53 -11.618 9.003 14.637 416 H VAL 54 H VAL 54 -7.538 4.509 14.908 417 HA VAL 54 HA VAL 54 -8.124 1.877 13.900 418 HB VAL 54 HB VAL 54 -5.466 3.108 14.656 419 1HG1 VAL 54 1HG1 VAL 54 -4.461 1.300 13.346 420 2HG1 VAL 54 2HG1 VAL 54 -6.058 0.592 13.100 421 3HG1 VAL 54 3HG1 VAL 54 -5.369 0.672 14.722 422 1HG2 VAL 54 1HG2 VAL 54 -6.552 4.286 12.825 423 2HG2 VAL 54 2HG2 VAL 54 -6.772 2.764 11.962 424 3HG2 VAL 54 3HG2 VAL 54 -5.148 3.391 12.246 425 H LYS 55 H LYS 55 -7.127 3.332 16.898 426 HA LYS 55 HA LYS 55 -6.566 0.929 18.301 427 1HB LYS 55 2HB LYS 55 -5.948 3.318 18.950 428 2HB LYS 55 1HB LYS 55 -7.605 3.490 19.504 429 1HG LYS 55 2HG LYS 55 -7.240 1.581 21.039 430 2HG LYS 55 1HG LYS 55 -5.546 1.557 20.544 431 1HD LYS 55 2HD LYS 55 -5.327 3.895 21.320 432 2HD LYS 55 1HD LYS 55 -6.995 3.836 21.895 433 1HE LYS 55 2HE LYS 55 -6.377 1.943 23.359 434 2HE LYS 55 1HE LYS 55 -4.705 2.114 22.834 435 1HZ LYS 55 1HZ LYS 55 -6.309 4.090 24.358 436 2HZ LYS 55 2HZ LYS 55 -4.778 4.418 23.716 437 3HZ LYS 55 3HZ LYS 55 -4.957 3.224 24.906 438 H ASN 56 H ASN 56 -9.392 2.396 17.190 439 HA ASN 56 HA ASN 56 -11.209 1.500 19.206 440 1HB ASN 56 2HB ASN 56 -11.696 3.433 17.751 441 2HB ASN 56 1HB ASN 56 -11.754 2.360 16.358 442 1HD2 ASN 56 1HD2 ASN 56 -13.861 2.828 15.850 443 2HD2 ASN 56 2HD2 ASN 56 -15.204 2.321 16.832 444 H LYS 57 H LYS 57 -10.751 0.488 15.823 445 HA LYS 57 HA LYS 57 -12.142 -1.961 16.208 446 1HB LYS 57 2HB LYS 57 -11.755 -0.369 14.120 447 2HB LYS 57 1HB LYS 57 -10.377 -1.428 13.873 448 1HG LYS 57 2HG LYS 57 -13.039 -2.625 14.324 449 2HG LYS 57 1HG LYS 57 -12.676 -1.882 12.774 450 1HD LYS 57 2HD LYS 57 -10.768 -3.337 12.473 451 2HD LYS 57 1HD LYS 57 -11.001 -4.021 14.082 452 1HE LYS 57 2HE LYS 57 -12.943 -4.233 11.781 453 2HE LYS 57 1HE LYS 57 -11.846 -5.505 12.316 454 1HZ LYS 57 1HZ LYS 57 -12.975 -5.425 14.504 455 2HZ LYS 57 2HZ LYS 57 -13.992 -5.913 13.238 456 3HZ LYS 57 3HZ LYS 57 -14.106 -4.339 13.853 457 H GLY 58 H GLY 58 -8.992 -0.910 16.731 458 1HA GLY 58 2HA GLY 58 -7.162 -2.097 17.555 459 2HA GLY 58 1HA GLY 58 -8.022 -3.598 17.236 460 H ARG 59 H ARG 59 -8.476 -2.166 14.473 461 HA ARG 59 HA ARG 59 -5.893 -2.485 13.227 462 1HB ARG 59 2HB ARG 59 -6.881 -4.810 13.441 463 2HB ARG 59 1HB ARG 59 -8.192 -4.275 12.405 464 1HG ARG 59 2HG ARG 59 -6.561 -5.529 11.137 465 2HG ARG 59 1HG ARG 59 -6.595 -3.849 10.601 466 1HD ARG 59 2HD ARG 59 -4.539 -3.364 11.601 467 2HD ARG 59 1HD ARG 59 -4.621 -4.774 12.659 468 HE ARG 59 HE ARG 59 -4.156 -6.162 10.742 469 1HH1 ARG 59 1HH1 ARG 59 -3.579 -2.732 10.269 470 2HH1 ARG 59 2HH1 ARG 59 -2.509 -2.979 8.924 471 1HH2 ARG 59 1HH2 ARG 59 -2.727 -6.467 9.005 472 2HH2 ARG 59 2HH2 ARG 59 -2.013 -5.075 8.226 473 H TRP 60 H TRP 60 -6.097 -1.976 10.864 474 HA TRP 60 HA TRP 60 -7.633 0.409 10.592 475 1HB TRP 60 2HB TRP 60 -5.938 -1.070 8.559 476 2HB TRP 60 1HB TRP 60 -6.546 0.575 8.385 477 HD1 TRP 60 HD TRP 60 -4.181 -1.424 10.715 478 HE1 TRP 60 1HE TRP 60 -2.383 0.189 11.604 479 HE3 TRP 60 3HE TRP 60 -5.869 2.920 8.612 480 HZ2 TRP 60 2HZ TRP 60 -1.755 2.929 11.430 481 HZ3 TRP 60 3HZ TRP 60 -4.602 4.992 9.019 482 HH2 TRP 60 HH TRP 60 -2.590 4.994 10.397 483 H LYS 61 H LYS 61 -9.578 0.665 9.738 484 HA LYS 61 HA LYS 61 -11.035 -1.661 8.843 485 1HB LYS 61 2HB LYS 61 -11.671 1.000 9.862 486 2HB LYS 61 1HB LYS 61 -12.723 0.504 8.545 487 1HG LYS 61 2HG LYS 61 -12.220 -1.208 10.963 488 2HG LYS 61 1HG LYS 61 -13.531 -0.031 10.864 489 1HD LYS 61 2HD LYS 61 -13.101 -2.347 8.975 490 2HD LYS 61 1HD LYS 61 -14.288 -2.294 10.282 491 1HE LYS 61 2HE LYS 61 -15.417 -0.429 9.216 492 2HE LYS 61 1HE LYS 61 -14.194 -0.382 7.948 493 1HZ LYS 61 1HZ LYS 61 -16.097 -2.606 8.463 494 2HZ LYS 61 2HZ LYS 61 -14.890 -2.611 7.273 495 3HZ LYS 61 3HZ LYS 61 -16.169 -1.501 7.178 496 H SER 62 H SER 62 -10.964 1.606 7.542 497 HA SER 62 HA SER 62 -10.136 0.993 4.939 498 1HB SER 62 2HB SER 62 -12.199 -0.271 4.726 499 2HB SER 62 1HB SER 62 -13.132 1.093 5.335 500 HG SER 62 HG SER 62 -12.023 0.670 2.821 501 H GLU 63 H GLU 63 -12.663 2.932 6.496 502 HA GLU 63 HA GLU 63 -12.383 5.307 5.139 503 1HB GLU 63 2HB GLU 63 -14.184 4.821 6.716 504 2HB GLU 63 1HB GLU 63 -13.046 4.851 8.054 505 1HG GLU 63 2HG GLU 63 -12.619 7.232 7.601 506 2HG GLU 63 1HG GLU 63 -13.834 7.181 6.322 507 H ASN 64 H ASN 64 -10.529 4.103 7.872 508 HA ASN 64 HA ASN 64 -9.093 6.317 8.639 509 1HB ASN 64 2HB ASN 64 -7.894 3.556 8.398 510 2HB ASN 64 1HB ASN 64 -7.539 4.796 9.589 511 1HD2 ASN 64 1HD2 ASN 64 -8.896 5.078 11.337 512 2HD2 ASN 64 2HD2 ASN 64 -10.120 3.932 11.748 513 H LEU 65 H LEU 65 -8.430 4.030 6.032 514 HA LEU 65 HA LEU 65 -5.868 5.083 5.392 515 1HB LEU 65 2HB LEU 65 -7.710 3.308 3.790 516 2HB LEU 65 1HB LEU 65 -6.027 3.618 3.412 517 HG LEU 65 HG LEU 65 -6.993 2.275 5.938 518 1HD1 LEU 65 1HD1 LEU 65 -7.456 0.896 3.989 519 2HD1 LEU 65 2HD1 LEU 65 -6.138 0.214 4.940 520 3HD1 LEU 65 3HD1 LEU 65 -5.789 1.082 3.446 521 1HD2 LEU 65 1HD2 LEU 65 -4.228 2.628 4.781 522 2HD2 LEU 65 2HD2 LEU 65 -4.628 1.677 6.212 523 3HD2 LEU 65 3HD2 LEU 65 -4.868 3.424 6.218 524 H PHE 66 H PHE 66 -9.123 5.734 4.308 525 HA PHE 66 HA PHE 66 -8.392 7.163 1.961 526 1HB PHE 66 2HB PHE 66 -10.922 7.033 3.581 527 2HB PHE 66 1HB PHE 66 -10.762 8.135 2.219 528 HD1 PHE 66 1HD PHE 66 -10.390 7.236 -0.050 529 HD2 PHE 66 2HD PHE 66 -11.273 4.722 3.259 530 HE1 PHE 66 1HE PHE 66 -11.012 5.432 -1.600 531 HE2 PHE 66 2HE PHE 66 -11.901 2.908 1.720 532 HZ PHE 66 HZ PHE 66 -11.771 3.263 -0.714 533 H LYS 67 H LYS 67 -9.172 8.177 5.283 534 HA LYS 67 HA LYS 67 -8.870 10.955 4.728 535 1HB LYS 67 2HB LYS 67 -9.938 9.716 6.801 536 2HB LYS 67 1HB LYS 67 -8.318 9.873 7.457 537 1HG LYS 67 2HG LYS 67 -8.447 12.325 6.911 538 2HG LYS 67 1HG LYS 67 -10.158 12.079 6.573 539 1HD LYS 67 2HD LYS 67 -10.456 11.239 8.880 540 2HD LYS 67 1HD LYS 67 -8.756 11.599 9.201 541 1HE LYS 67 2HE LYS 67 -9.206 13.968 8.596 542 2HE LYS 67 1HE LYS 67 -10.913 13.565 8.435 543 1HZ LYS 67 1HZ LYS 67 -9.265 13.531 10.897 544 2HZ LYS 67 2HZ LYS 67 -10.798 12.807 10.811 545 3HZ LYS 67 3HZ LYS 67 -10.629 14.478 10.568 546 H ALA 68 H ALA 68 -6.795 8.456 6.017 547 HA ALA 68 HA ALA 68 -4.534 9.913 6.652 548 1HB ALA 68 1HB ALA 68 -4.815 7.527 7.142 549 2HB ALA 68 2HB ALA 68 -3.274 7.859 6.349 550 3HB ALA 68 3HB ALA 68 -4.608 7.160 5.429 551 H SER 69 H SER 69 -5.297 8.420 3.493 552 HA SER 69 HA SER 69 -2.949 9.450 2.254 553 1HB SER 69 2HB SER 69 -4.146 8.726 0.122 554 2HB SER 69 1HB SER 69 -3.860 7.462 1.320 555 HG SER 69 HG SER 69 -5.958 7.382 1.776 556 H LYS 70 H LYS 70 -6.213 10.594 2.656 557 HA LYS 70 HA LYS 70 -6.201 12.693 0.781 558 1HB LYS 70 2HB LYS 70 -7.990 11.682 2.629 559 2HB LYS 70 1HB LYS 70 -7.609 13.265 3.288 560 1HG LYS 70 2HG LYS 70 -8.586 12.774 0.483 561 2HG LYS 70 1HG LYS 70 -9.609 13.240 1.841 562 1HD LYS 70 2HD LYS 70 -8.253 15.297 2.097 563 2HD LYS 70 1HD LYS 70 -7.341 14.839 0.657 564 1HE LYS 70 2HE LYS 70 -9.403 14.887 -0.661 565 2HE LYS 70 1HE LYS 70 -10.315 15.331 0.780 566 1HZ LYS 70 1HZ LYS 70 -9.881 17.279 -0.497 567 2HZ LYS 70 2HZ LYS 70 -8.221 16.944 -0.573 568 3HZ LYS 70 3HZ LYS 70 -8.936 17.361 0.912 569 H LEU 71 H LEU 71 -5.204 12.548 4.173 570 HA LEU 71 HA LEU 71 -4.402 15.287 4.308 571 1HB LEU 71 2HB LEU 71 -3.695 12.944 6.077 572 2HB LEU 71 1HB LEU 71 -3.342 14.621 6.445 573 HG LEU 71 HG LEU 71 -6.111 13.441 6.159 574 1HD1 LEU 71 1HD1 LEU 71 -6.283 13.746 8.560 575 2HD1 LEU 71 2HD1 LEU 71 -4.634 14.369 8.622 576 3HD1 LEU 71 3HD1 LEU 71 -4.925 12.686 8.180 577 1HD2 LEU 71 1HD2 LEU 71 -5.993 15.786 5.470 578 2HD2 LEU 71 2HD2 LEU 71 -5.227 16.197 7.004 579 3HD2 LEU 71 3HD2 LEU 71 -6.886 15.601 6.979 580 H LEU 72 H LEU 72 -2.772 12.250 3.595 581 HA LEU 72 HA LEU 72 -0.131 13.290 3.631 582 1HB LEU 72 2HB LEU 72 -1.285 10.881 2.234 583 2HB LEU 72 1HB LEU 72 0.428 11.244 2.309 584 HG LEU 72 HG LEU 72 -1.328 10.719 4.709 585 1HD1 LEU 72 1HD1 LEU 72 -0.130 8.587 4.856 586 2HD1 LEU 72 2HD1 LEU 72 0.674 8.940 3.326 587 3HD1 LEU 72 3HD1 LEU 72 -1.075 8.713 3.372 588 1HD2 LEU 72 1HD2 LEU 72 1.663 11.033 4.465 589 2HD2 LEU 72 2HD2 LEU 72 0.788 10.591 5.930 590 3HD2 LEU 72 3HD2 LEU 72 0.554 12.183 5.211 591 H ARG 73 H ARG 73 -2.689 13.615 1.428 592 HA ARG 73 HA ARG 73 -1.312 13.921 -1.009 593 1HB ARG 73 2HB ARG 73 -3.710 13.602 -0.944 594 2HB ARG 73 1HB ARG 73 -3.933 15.076 -0.020 595 1HG ARG 73 2HG ARG 73 -2.694 15.257 -2.722 596 2HG ARG 73 1HG ARG 73 -4.432 14.975 -2.594 597 1HD ARG 73 2HD ARG 73 -4.560 16.969 -1.093 598 2HD ARG 73 1HD ARG 73 -2.862 17.278 -1.446 599 HE ARG 73 HE ARG 73 -4.825 17.164 -3.637 600 1HH1 ARG 73 1HH1 ARG 73 -2.412 18.872 -1.782 601 2HH1 ARG 73 2HH1 ARG 73 -2.440 20.301 -2.772 602 1HH2 ARG 73 1HH2 ARG 73 -4.909 19.054 -4.955 603 2HH2 ARG 73 2HH2 ARG 73 -3.863 20.399 -4.587 604 H SER 74 H SER 74 -1.607 15.977 1.754 605 HA SER 74 HA SER 74 -0.888 18.411 0.425 606 1HB SER 74 2HB SER 74 -0.733 17.718 3.370 607 2HB SER 74 1HB SER 74 -0.712 19.338 2.672 608 HG SER 74 HG SER 74 -2.805 19.273 2.667 609 H ASN 75 H ASN 75 0.845 15.673 1.530 610 HA ASN 75 HA ASN 75 3.392 17.128 1.591 611 1HB ASN 75 2HB ASN 75 2.714 15.274 3.275 612 2HB ASN 75 1HB ASN 75 3.055 14.154 1.963 613 1HD2 ASN 75 1HD2 ASN 75 5.282 15.884 0.962 614 2HD2 ASN 75 2HD2 ASN 75 6.580 15.605 2.073 615 H ASN 76 H ASN 76 1.672 14.593 -0.153 616 HA ASN 76 HA ASN 76 3.107 15.316 -2.568 617 1HB ASN 76 2HB ASN 76 4.500 13.499 -1.703 618 2HB ASN 76 1HB ASN 76 3.084 12.464 -1.541 619 1HD2 ASN 76 1HD2 ASN 76 3.915 10.906 -2.916 620 2HD2 ASN 76 2HD2 ASN 76 4.041 11.146 -4.622 621 H THR 77 H THR 77 1.612 15.619 -4.054 622 HA THR 77 HA THR 77 -1.103 15.087 -3.587 623 HB THR 77 HB THR 77 0.057 15.657 -6.300 624 HG1 THR 77 1HG THR 77 0.603 17.624 -5.657 625 1HG2 THR 77 1HG2 THR 77 -1.992 17.005 -6.530 626 2HG2 THR 77 2HG2 THR 77 -2.483 16.516 -4.909 627 3HG2 THR 77 3HG2 THR 77 -2.356 15.314 -6.193 628 H GLU 78 H GLU 78 1.351 13.174 -5.153 629 HA GLU 78 HA GLU 78 -0.436 11.666 -6.774 630 1HB GLU 78 2HB GLU 78 2.409 11.138 -5.954 631 2HB GLU 78 1HB GLU 78 1.519 10.196 -7.131 632 1HG GLU 78 2HG GLU 78 1.176 12.454 -8.330 633 2HG GLU 78 1HG GLU 78 2.527 12.988 -7.330 634 H ILE 79 H ILE 79 0.322 11.515 -3.452 635 HA ILE 79 HA ILE 79 0.436 8.767 -2.999 636 HB ILE 79 HB ILE 79 -0.544 10.942 -1.152 637 1HG1 ILE 79 2HG1 ILE 79 2.087 9.452 -1.360 638 2HG1 ILE 79 1HG1 ILE 79 1.805 11.120 -1.853 639 1HG2 ILE 79 1HG2 ILE 79 0.097 8.061 -0.527 640 2HG2 ILE 79 2HG2 ILE 79 -1.495 8.817 -0.449 641 3HG2 ILE 79 3HG2 ILE 79 -0.224 9.317 0.668 642 1HD1 ILE 79 1HD1 ILE 79 1.657 10.036 0.950 643 2HD1 ILE 79 2HD1 ILE 79 1.318 11.702 0.479 644 3HD1 ILE 79 3HD1 ILE 79 2.940 11.039 0.276 645 HA PRO 80 HA PRO 80 -4.360 8.674 -2.241 646 1HB PRO 80 2HB PRO 80 -5.772 10.712 -3.417 647 2HB PRO 80 1HB PRO 80 -5.307 10.682 -1.713 648 1HG PRO 80 2HG PRO 80 -3.998 12.085 -4.010 649 2HG PRO 80 1HG PRO 80 -4.297 12.672 -2.362 650 1HD PRO 80 2HD PRO 80 -1.878 11.802 -3.132 651 2HD PRO 80 1HD PRO 80 -2.494 11.516 -1.490 652 H ILE 81 H ILE 81 -3.029 10.112 -5.158 653 HA ILE 81 HA ILE 81 -4.849 8.990 -7.012 654 HB ILE 81 HB ILE 81 -1.961 9.790 -7.447 655 1HG1 ILE 81 2HG1 ILE 81 -4.513 11.358 -7.892 656 2HG1 ILE 81 1HG1 ILE 81 -3.392 11.611 -6.560 657 1HG2 ILE 81 1HG2 ILE 81 -2.804 8.340 -9.224 658 2HG2 ILE 81 2HG2 ILE 81 -2.578 9.988 -9.809 659 3HG2 ILE 81 3HG2 ILE 81 -4.198 9.398 -9.439 660 1HD1 ILE 81 1HD1 ILE 81 -3.086 13.274 -8.298 661 2HD1 ILE 81 2HD1 ILE 81 -2.785 12.004 -9.484 662 3HD1 ILE 81 3HD1 ILE 81 -1.654 12.255 -8.154 663 H LEU 82 H LEU 82 -1.733 7.919 -5.734 664 HA LEU 82 HA LEU 82 -1.642 5.528 -7.292 665 1HB LEU 82 2HB LEU 82 -0.156 6.310 -4.785 666 2HB LEU 82 1HB LEU 82 0.228 4.927 -5.793 667 HG LEU 82 HG LEU 82 0.297 7.781 -6.778 668 1HD1 LEU 82 1HD1 LEU 82 1.940 7.469 -4.998 669 2HD1 LEU 82 2HD1 LEU 82 2.720 7.645 -6.570 670 3HD1 LEU 82 3HD1 LEU 82 2.577 6.050 -5.830 671 1HD2 LEU 82 1HD2 LEU 82 -0.010 6.117 -8.526 672 2HD2 LEU 82 2HD2 LEU 82 1.381 5.210 -7.929 673 3HD2 LEU 82 3HD2 LEU 82 1.604 6.820 -8.614 674 H TRP 83 H TRP 83 -2.793 6.381 -4.084 675 HA TRP 83 HA TRP 83 -3.350 3.800 -3.135 676 1HB TRP 83 2HB TRP 83 -3.445 5.711 -1.639 677 2HB TRP 83 1HB TRP 83 -4.755 6.425 -2.577 678 HD1 TRP 83 HD TRP 83 -7.017 6.131 -1.426 679 HE1 TRP 83 1HE TRP 83 -8.114 4.359 0.084 680 HE3 TRP 83 3HE TRP 83 -3.155 2.790 -1.162 681 HZ2 TRP 83 2HZ TRP 83 -7.430 1.868 1.233 682 HZ3 TRP 83 3HZ TRP 83 -3.456 0.738 0.160 683 HH2 TRP 83 HH TRP 83 -5.551 0.286 1.333 684 H LYS 84 H LYS 84 -5.211 6.017 -5.151 685 HA LYS 84 HA LYS 84 -7.592 4.628 -5.395 686 1HB LYS 84 2HB LYS 84 -7.208 6.862 -6.335 687 2HB LYS 84 1HB LYS 84 -6.105 6.191 -7.519 688 1HG LYS 84 2HG LYS 84 -8.907 5.183 -7.444 689 2HG LYS 84 1HG LYS 84 -8.585 6.768 -8.143 690 1HD LYS 84 2HD LYS 84 -6.944 5.745 -9.665 691 2HD LYS 84 1HD LYS 84 -7.305 4.164 -8.976 692 1HE LYS 84 2HE LYS 84 -9.287 5.946 -10.383 693 2HE LYS 84 1HE LYS 84 -8.468 4.568 -11.114 694 1HZ LYS 84 1HZ LYS 84 -9.501 3.181 -9.330 695 2HZ LYS 84 2HZ LYS 84 -10.598 3.849 -10.434 696 3HZ LYS 84 3HZ LYS 84 -10.434 4.530 -8.888 697 H SER 85 H SER 85 -4.604 4.247 -7.252 698 HA SER 85 HA SER 85 -5.403 2.276 -9.028 699 1HB SER 85 2HB SER 85 -2.681 2.503 -7.720 700 2HB SER 85 1HB SER 85 -3.047 1.729 -9.262 701 HG SER 85 HG SER 85 -2.321 4.170 -8.965 702 H ALA 86 H ALA 86 -4.019 1.870 -5.777 703 HA ALA 86 HA ALA 86 -4.057 -0.964 -5.829 704 1HB ALA 86 1HB ALA 86 -2.609 0.316 -4.324 705 2HB ALA 86 2HB ALA 86 -3.613 -0.834 -3.443 706 3HB ALA 86 3HB ALA 86 -4.028 0.881 -3.443 707 H TRP 87 H TRP 87 -6.292 1.451 -4.530 708 HA TRP 87 HA TRP 87 -8.074 -0.374 -3.320 709 1HB TRP 87 2HB TRP 87 -7.958 2.064 -2.813 710 2HB TRP 87 1HB TRP 87 -8.686 2.393 -4.377 711 HD1 TRP 87 HD TRP 87 -11.170 2.816 -4.241 712 HE1 TRP 87 1HE TRP 87 -13.104 2.123 -2.691 713 HE3 TRP 87 3HE TRP 87 -8.584 -0.224 -1.051 714 HZ2 TRP 87 2HZ TRP 87 -13.477 0.497 -0.414 715 HZ3 TRP 87 3HZ TRP 87 -9.804 -1.313 0.790 716 HH2 TRP 87 HH TRP 87 -12.200 -0.958 1.101 717 H THR 88 H THR 88 -7.722 0.764 -6.584 718 HA THR 88 HA THR 88 -10.221 0.049 -7.639 719 HB THR 88 HB THR 88 -7.517 0.020 -9.009 720 HG1 THR 88 1HG THR 88 -8.289 2.058 -8.078 721 1HG2 THR 88 1HG2 THR 88 -9.169 -1.263 -10.278 722 2HG2 THR 88 2HG2 THR 88 -8.785 0.251 -11.096 723 3HG2 THR 88 3HG2 THR 88 -10.293 0.094 -10.199 724 H LEU 89 H LEU 89 -7.310 -1.862 -7.042 725 HA LEU 89 HA LEU 89 -8.098 -4.211 -8.390 726 1HB LEU 89 2HB LEU 89 -6.303 -3.871 -5.983 727 2HB LEU 89 1HB LEU 89 -6.439 -5.340 -6.926 728 HG LEU 89 HG LEU 89 -5.419 -2.698 -7.976 729 1HD1 LEU 89 1HD1 LEU 89 -3.235 -3.789 -7.976 730 2HD1 LEU 89 2HD1 LEU 89 -3.944 -5.215 -7.218 731 3HD1 LEU 89 3HD1 LEU 89 -3.901 -3.681 -6.347 732 1HD2 LEU 89 1HD2 LEU 89 -6.482 -4.049 -9.701 733 2HD2 LEU 89 2HD2 LEU 89 -5.506 -5.440 -9.228 734 3HD2 LEU 89 3HD2 LEU 89 -4.733 -4.014 -9.922 735 H HIS 90 H HIS 90 -9.014 -2.839 -5.357 736 HA HIS 90 HA HIS 90 -10.088 -5.297 -4.279 737 1HB HIS 90 2HB HIS 90 -9.125 -3.463 -2.856 738 2HB HIS 90 1HB HIS 90 -10.497 -2.460 -3.303 739 HD1 HIS 90 1HD HIS 90 -9.477 -3.982 -0.474 740 HD2 HIS 90 2HD HIS 90 -12.964 -4.463 -2.694 741 HE1 HIS 90 1HE HIS 90 -11.179 -4.928 1.121 742 HE2 HIS 90 2HE HIS 90 -13.331 -5.020 -0.193 743 H VAL 91 H VAL 91 -11.457 -2.190 -5.353 744 HA VAL 91 HA VAL 91 -14.139 -3.120 -5.057 745 HB VAL 91 HB VAL 91 -13.076 -0.636 -6.404 746 1HG1 VAL 91 1HG1 VAL 91 -15.905 -1.300 -5.588 747 2HG1 VAL 91 2HG1 VAL 91 -15.307 -1.236 -7.245 748 3HG1 VAL 91 3HG1 VAL 91 -15.348 0.230 -6.266 749 1HG2 VAL 91 1HG2 VAL 91 -13.815 0.476 -4.338 750 2HG2 VAL 91 2HG2 VAL 91 -12.566 -0.732 -4.033 751 3HG2 VAL 91 3HG2 VAL 91 -14.252 -1.094 -3.666 752 H GLU 92 H GLU 92 -12.070 -2.488 -7.895 753 HA GLU 92 HA GLU 92 -14.271 -3.368 -9.602 754 1HB GLU 92 2HB GLU 92 -11.688 -1.946 -10.236 755 2HB GLU 92 1HB GLU 92 -12.858 -2.447 -11.453 756 1HG GLU 92 2HG GLU 92 -14.556 -1.038 -10.398 757 2HG GLU 92 1HG GLU 92 -13.382 -0.541 -9.181 758 H GLY 93 H GLY 93 -12.060 -4.947 -7.992 759 1HA GLY 93 2HA GLY 93 -11.217 -6.765 -10.103 760 2HA GLY 93 1HA GLY 93 -10.893 -6.941 -8.379 761 H PHE 94 H PHE 94 -13.485 -7.087 -10.781 762 HA PHE 94 HA PHE 94 -15.372 -8.201 -8.926 763 1HB PHE 94 2HB PHE 94 -15.534 -7.824 -11.917 764 2HB PHE 94 1HB PHE 94 -16.876 -8.298 -10.884 765 HD1 PHE 94 2HD PHE 94 -17.483 -6.665 -8.972 766 HD2 PHE 94 1HD PHE 94 -15.148 -5.591 -12.360 767 HE1 PHE 94 2HE PHE 94 -18.017 -4.294 -8.583 768 HE2 PHE 94 1HE PHE 94 -15.676 -3.219 -11.979 769 HZ PHE 94 HZ PHE 94 -17.113 -2.566 -10.088 770 H HIS 95 H HIS 95 -12.871 -9.743 -9.798 771 HA HIS 95 HA HIS 95 -12.287 -11.932 -9.908 772 1HB HIS 95 2HB HIS 95 -14.200 -12.341 -8.379 773 2HB HIS 95 1HB HIS 95 -15.250 -12.543 -9.776 774 HD1 HIS 95 1HD HIS 95 -15.230 -14.798 -10.950 775 HD2 HIS 95 2HD HIS 95 -12.325 -14.456 -7.987 776 HE1 HIS 95 1HE HIS 95 -14.320 -17.116 -10.620 777 HE2 HIS 95 2HE HIS 95 -12.425 -16.849 -8.981 778 H GLU 96 H GLU 96 -15.312 -11.651 -11.805 779 HA GLU 96 HA GLU 96 -14.385 -13.221 -13.969 780 1HB GLU 96 2HB GLU 96 -16.450 -11.008 -14.089 781 2HB GLU 96 1HB GLU 96 -16.298 -12.371 -15.188 782 1HG GLU 96 2HG GLU 96 -17.138 -12.451 -12.301 783 2HG GLU 96 1HG GLU 96 -18.142 -12.756 -13.717 784 H LEU 97 H LEU 97 -14.241 -9.833 -13.186 785 HA LEU 97 HA LEU 97 -12.552 -9.312 -15.519 786 1HB LEU 97 2HB LEU 97 -13.768 -7.410 -13.503 787 2HB LEU 97 1HB LEU 97 -12.708 -6.922 -14.805 788 HG LEU 97 HG LEU 97 -14.875 -6.392 -15.523 789 1HD1 LEU 97 1HD1 LEU 97 -13.554 -7.444 -17.249 790 2HD1 LEU 97 2HD1 LEU 97 -15.262 -7.838 -17.451 791 3HD1 LEU 97 3HD1 LEU 97 -14.155 -9.031 -16.771 792 1HD2 LEU 97 1HD2 LEU 97 -16.763 -7.937 -15.502 793 2HD2 LEU 97 2HD2 LEU 97 -16.133 -7.675 -13.876 794 3HD2 LEU 97 3HD2 LEU 97 -15.756 -9.167 -14.737 795 H SER 98 H SER 98 -10.631 -10.226 -14.958 796 HA SER 98 HA SER 98 -9.476 -9.571 -12.339 797 1HB SER 98 2HB SER 98 -9.583 -11.961 -12.975 798 2HB SER 98 1HB SER 98 -8.606 -11.618 -14.402 799 HG SER 98 HG SER 98 -7.045 -10.745 -12.766 800 H LEU 99 H LEU 99 -9.600 -8.166 -15.187 801 HA LEU 99 HA LEU 99 -8.392 -6.615 -16.303 802 1HB LEU 99 2HB LEU 99 -6.594 -6.820 -13.890 803 2HB LEU 99 1HB LEU 99 -6.405 -5.622 -15.156 804 HG LEU 99 HG LEU 99 -8.816 -5.889 -13.352 805 1HD1 LEU 99 1HD1 LEU 99 -6.850 -5.100 -12.150 806 2HD1 LEU 99 2HD1 LEU 99 -8.026 -3.801 -12.359 807 3HD1 LEU 99 3HD1 LEU 99 -6.587 -3.860 -13.377 808 1HD2 LEU 99 1HD2 LEU 99 -9.494 -3.749 -14.330 809 2HD2 LEU 99 2HD2 LEU 99 -9.392 -5.014 -15.555 810 3HD2 LEU 99 3HD2 LEU 99 -8.112 -3.809 -15.422 811 H ASN 100 H ASN 100 -5.812 -6.207 -16.872 812 HA ASN 100 HA ASN 100 -5.000 -8.790 -18.024 813 1HB ASN 100 2HB ASN 100 -4.245 -5.994 -18.905 814 2HB ASN 100 1HB ASN 100 -3.819 -7.490 -19.722 815 1HD2 ASN 100 1HD2 ASN 100 -6.371 -5.246 -18.986 816 2HD2 ASN 100 2HD2 ASN 100 -7.489 -5.811 -20.200 817 H GLU 101 H GLU 101 -2.668 -9.156 -18.244 818 HA GLU 101 HA GLU 101 -1.019 -8.700 -16.045 819 1HB GLU 101 2HB GLU 101 -0.581 -10.337 -17.831 820 2HB GLU 101 1HB GLU 101 -0.271 -9.031 -18.958 821 1HG GLU 101 2HG GLU 101 1.593 -8.340 -17.353 822 2HG GLU 101 1HG GLU 101 1.389 -9.945 -16.647 823 H LYS 102 H LYS 102 -1.683 -6.834 -18.876 824 HA LYS 102 HA LYS 102 0.162 -4.832 -18.924 825 1HB LYS 102 2HB LYS 102 -1.598 -5.155 -20.550 826 2HB LYS 102 1HB LYS 102 -2.819 -4.774 -19.359 827 1HG LYS 102 2HG LYS 102 -2.077 -2.494 -19.270 828 2HG LYS 102 1HG LYS 102 -0.763 -2.854 -20.394 829 1HD LYS 102 2HD LYS 102 -2.839 -1.793 -21.416 830 2HD LYS 102 1HD LYS 102 -2.272 -3.281 -22.176 831 1HE LYS 102 2HE LYS 102 -3.936 -4.540 -20.826 832 2HE LYS 102 1HE LYS 102 -4.542 -3.006 -20.207 833 1HZ LYS 102 1HZ LYS 102 -4.406 -3.402 -23.113 834 2HZ LYS 102 2HZ LYS 102 -5.499 -2.478 -22.202 835 3HZ LYS 102 3HZ LYS 102 -5.646 -4.164 -22.252 836 H GLU 103 H GLU 103 -2.828 -4.933 -17.005 837 HA GLU 103 HA GLU 103 -2.332 -2.516 -15.607 838 1HB GLU 103 2HB GLU 103 -4.183 -4.843 -15.185 839 2HB GLU 103 1HB GLU 103 -4.050 -3.580 -13.980 840 1HG GLU 103 2HG GLU 103 -5.932 -3.123 -15.369 841 2HG GLU 103 1HG GLU 103 -4.684 -1.925 -15.695 842 H VAL 104 H VAL 104 -1.884 -5.934 -14.787 843 HA VAL 104 HA VAL 104 -1.095 -5.677 -12.140 844 HB VAL 104 HB VAL 104 -0.083 -7.724 -14.122 845 1HG1 VAL 104 1HG1 VAL 104 0.234 -9.162 -12.163 846 2HG1 VAL 104 2HG1 VAL 104 -0.272 -7.840 -11.113 847 3HG1 VAL 104 3HG1 VAL 104 1.215 -7.698 -12.050 848 1HG2 VAL 104 1HG2 VAL 104 -1.934 -9.120 -13.332 849 2HG2 VAL 104 2HG2 VAL 104 -2.515 -7.640 -14.098 850 3HG2 VAL 104 3HG2 VAL 104 -2.512 -7.783 -12.339 851 H LYS 105 H LYS 105 0.920 -5.623 -15.059 852 HA LYS 105 HA LYS 105 3.405 -5.571 -13.758 853 1HB LYS 105 2HB LYS 105 2.576 -4.592 -16.488 854 2HB LYS 105 1HB LYS 105 4.249 -4.626 -15.940 855 1HG LYS 105 2HG LYS 105 4.133 -7.030 -15.656 856 2HG LYS 105 1HG LYS 105 2.434 -7.019 -16.127 857 1HD LYS 105 2HD LYS 105 4.722 -6.132 -17.881 858 2HD LYS 105 1HD LYS 105 3.941 -7.712 -17.962 859 1HE LYS 105 2HE LYS 105 1.769 -6.454 -18.346 860 2HE LYS 105 1HE LYS 105 2.761 -5.016 -18.585 861 1HZ LYS 105 1HZ LYS 105 2.258 -6.047 -20.691 862 2HZ LYS 105 2HZ LYS 105 2.904 -7.526 -20.163 863 3HZ LYS 105 3HZ LYS 105 3.920 -6.184 -20.376 864 H LYS 106 H LYS 106 1.229 -2.951 -14.686 865 HA LYS 106 HA LYS 106 3.103 -0.906 -13.938 866 1HB LYS 106 2HB LYS 106 1.175 -0.640 -15.592 867 2HB LYS 106 1HB LYS 106 0.115 -0.573 -14.188 868 1HG LYS 106 2HG LYS 106 1.396 1.371 -13.355 869 2HG LYS 106 1HG LYS 106 2.358 1.330 -14.835 870 1HD LYS 106 2HD LYS 106 0.714 2.955 -15.237 871 2HD LYS 106 1HD LYS 106 0.131 1.516 -16.076 872 1HE LYS 106 2HE LYS 106 -1.718 2.484 -14.920 873 2HE LYS 106 1HE LYS 106 -1.267 1.007 -14.070 874 1HZ LYS 106 1HZ LYS 106 -1.734 2.924 -12.592 875 2HZ LYS 106 2HZ LYS 106 -0.395 3.726 -13.254 876 3HZ LYS 106 3HZ LYS 106 -0.173 2.283 -12.383 877 H LEU 107 H LEU 107 0.213 -2.356 -12.489 878 HA LEU 107 HA LEU 107 -0.042 -0.682 -10.295 879 1HB LEU 107 2HB LEU 107 -1.158 -3.163 -11.190 880 2HB LEU 107 1HB LEU 107 -0.838 -3.257 -9.469 881 HG LEU 107 HG LEU 107 -3.114 -2.525 -9.844 882 1HD1 LEU 107 1HD1 LEU 107 -1.348 -0.296 -8.855 883 2HD1 LEU 107 2HD1 LEU 107 -1.996 -1.630 -7.901 884 3HD1 LEU 107 3HD1 LEU 107 -3.086 -0.421 -8.581 885 1HD2 LEU 107 1HD2 LEU 107 -3.604 -0.405 -10.967 886 2HD2 LEU 107 2HD2 LEU 107 -2.848 -1.562 -12.063 887 3HD2 LEU 107 3HD2 LEU 107 -1.900 -0.235 -11.389 888 H LYS 108 H LYS 108 1.962 -3.587 -10.642 889 HA LYS 108 HA LYS 108 2.689 -3.845 -7.949 890 1HB LYS 108 2HB LYS 108 4.505 -5.215 -8.669 891 2HB LYS 108 1HB LYS 108 3.184 -5.506 -9.790 892 1HG LYS 108 2HG LYS 108 4.221 -4.148 -11.468 893 2HG LYS 108 1HG LYS 108 5.470 -3.624 -10.338 894 1HD LYS 108 2HD LYS 108 6.111 -6.078 -10.145 895 2HD LYS 108 1HD LYS 108 5.064 -6.355 -11.538 896 1HE LYS 108 2HE LYS 108 7.424 -4.469 -11.466 897 2HE LYS 108 1HE LYS 108 7.425 -6.080 -12.182 898 1HZ LYS 108 1HZ LYS 108 5.573 -3.936 -13.059 899 2HZ LYS 108 2HZ LYS 108 5.923 -5.401 -13.842 900 3HZ LYS 108 3HZ LYS 108 7.093 -4.184 -13.763 901 H GLU 109 H GLU 109 3.924 -1.769 -10.495 902 HA GLU 109 HA GLU 109 6.111 -0.820 -8.873 903 1HB GLU 109 2HB GLU 109 5.154 -0.036 -11.622 904 2HB GLU 109 1HB GLU 109 6.571 0.654 -10.832 905 1HG GLU 109 2HG GLU 109 7.555 -1.590 -10.680 906 2HG GLU 109 1HG GLU 109 6.156 -2.248 -11.523 907 H ASP 110 H ASP 110 2.878 0.203 -9.704 908 HA ASP 110 HA ASP 110 3.009 2.823 -8.679 909 1HB ASP 110 2HB ASP 110 0.731 0.834 -8.768 910 2HB ASP 110 1HB ASP 110 0.539 2.471 -8.154 911 H VAL 111 H VAL 111 2.374 -0.296 -7.156 912 HA VAL 111 HA VAL 111 2.221 0.707 -4.493 913 HB VAL 111 HB VAL 111 2.857 -2.073 -5.504 914 1HG1 VAL 111 1HG1 VAL 111 3.705 -1.786 -3.239 915 2HG1 VAL 111 2HG1 VAL 111 2.286 -2.835 -3.238 916 3HG1 VAL 111 3HG1 VAL 111 2.142 -1.157 -2.717 917 1HG2 VAL 111 1HG2 VAL 111 0.524 -2.556 -4.960 918 2HG2 VAL 111 2HG2 VAL 111 0.645 -1.258 -6.149 919 3HG2 VAL 111 3HG2 VAL 111 0.288 -0.881 -4.463 920 H ARG 112 H ARG 112 4.829 -0.549 -6.512 921 HA ARG 112 HA ARG 112 6.883 -0.685 -4.645 922 1HB ARG 112 2HB ARG 112 7.021 -1.433 -7.025 923 2HB ARG 112 1HB ARG 112 7.127 0.250 -7.516 924 1HG ARG 112 2HG ARG 112 9.205 0.447 -6.161 925 2HG ARG 112 1HG ARG 112 9.113 -1.291 -5.864 926 1HD ARG 112 2HD ARG 112 9.119 -1.633 -8.336 927 2HD ARG 112 1HD ARG 112 9.415 0.095 -8.523 928 HE ARG 112 HE ARG 112 11.266 -1.707 -7.093 929 1HH1 ARG 112 1HH1 ARG 112 10.673 0.877 -9.395 930 2HH1 ARG 112 2HH1 ARG 112 12.357 1.150 -9.699 931 1HH2 ARG 112 1HH2 ARG 112 13.468 -1.341 -7.503 932 2HH2 ARG 112 2HH2 ARG 112 13.946 -0.089 -8.618 933 H LYS 113 H LYS 113 5.728 2.076 -6.533 934 HA LYS 113 HA LYS 113 7.449 4.047 -5.747 935 1HB LYS 113 2HB LYS 113 5.274 3.831 -7.315 936 2HB LYS 113 1HB LYS 113 4.559 4.669 -5.944 937 1HG LYS 113 2HG LYS 113 6.256 6.384 -6.140 938 2HG LYS 113 1HG LYS 113 6.917 5.580 -7.554 939 1HD LYS 113 2HD LYS 113 4.904 5.934 -8.792 940 2HD LYS 113 1HD LYS 113 4.061 6.519 -7.357 941 1HE LYS 113 2HE LYS 113 5.551 8.462 -7.282 942 2HE LYS 113 1HE LYS 113 6.389 7.876 -8.719 943 1HZ LYS 113 1HZ LYS 113 4.588 9.638 -9.033 944 2HZ LYS 113 2HZ LYS 113 3.478 8.391 -8.745 945 3HZ LYS 113 3HZ LYS 113 4.538 8.283 -10.056 946 H LEU 114 H LEU 114 4.498 2.877 -4.167 947 HA LEU 114 HA LEU 114 4.510 4.672 -1.996 948 1HB LEU 114 2HB LEU 114 3.157 2.133 -2.703 949 2HB LEU 114 1HB LEU 114 3.194 2.555 -1.014 950 HG LEU 114 HG LEU 114 2.095 4.711 -1.556 951 1HD1 LEU 114 1HD1 LEU 114 1.897 3.527 -4.315 952 2HD1 LEU 114 2HD1 LEU 114 2.840 4.944 -3.849 953 3HD1 LEU 114 3HD1 LEU 114 1.078 4.987 -3.758 954 1HD2 LEU 114 1HD2 LEU 114 0.628 2.255 -2.507 955 2HD2 LEU 114 2HD2 LEU 114 -0.109 3.770 -1.986 956 3HD2 LEU 114 3HD2 LEU 114 0.784 2.781 -0.830 957 H VAL 115 H VAL 115 5.740 1.369 -2.377 958 HA VAL 115 HA VAL 115 6.501 0.998 0.298 959 HB VAL 115 HB VAL 115 7.624 -0.320 -2.179 960 1HG1 VAL 115 1HG1 VAL 115 9.139 -0.587 -0.283 961 2HG1 VAL 115 2HG1 VAL 115 8.351 -2.115 -0.678 962 3HG1 VAL 115 3HG1 VAL 115 7.804 -1.174 0.710 963 1HG2 VAL 115 1HG2 VAL 115 5.226 -0.653 -1.957 964 2HG2 VAL 115 2HG2 VAL 115 5.438 -1.184 -0.289 965 3HG2 VAL 115 3HG2 VAL 115 6.086 -2.156 -1.609 966 H ILE 116 H ILE 116 8.392 2.075 -2.510 967 HA ILE 116 HA ILE 116 10.849 2.351 -1.181 968 HB ILE 116 HB ILE 116 9.763 3.951 -3.513 969 1HG1 ILE 116 2HG1 ILE 116 11.636 1.573 -3.460 970 2HG1 ILE 116 1HG1 ILE 116 9.929 1.510 -3.891 971 1HG2 ILE 116 1HG2 ILE 116 12.596 3.734 -2.496 972 2HG2 ILE 116 2HG2 ILE 116 11.579 5.176 -2.468 973 3HG2 ILE 116 3HG2 ILE 116 12.115 4.504 -4.008 974 1HD1 ILE 116 1HD1 ILE 116 11.358 1.497 -5.860 975 2HD1 ILE 116 2HD1 ILE 116 12.060 3.038 -5.368 976 3HD1 ILE 116 3HD1 ILE 116 10.355 2.946 -5.808 977 H PHE 117 H PHE 117 8.025 4.418 -1.307 978 HA PHE 117 HA PHE 117 9.369 6.732 -0.257 979 1HB PHE 117 2HB PHE 117 7.286 6.799 -1.688 980 2HB PHE 117 1HB PHE 117 6.391 6.191 -0.301 981 HD1 PHE 117 1HD PHE 117 8.356 9.030 -1.584 982 HD2 PHE 117 2HD PHE 117 5.746 7.624 1.466 983 HE1 PHE 117 1HE PHE 117 8.061 11.339 -0.780 984 HE2 PHE 117 2HE PHE 117 5.446 9.924 2.277 985 HZ PHE 117 HZ PHE 117 6.603 11.787 1.156 986 H ALA 118 H ALA 118 7.196 4.254 1.022 987 HA ALA 118 HA ALA 118 7.027 5.232 3.656 988 1HB ALA 118 1HB ALA 118 6.213 3.008 4.235 989 2HB ALA 118 2HB ALA 118 6.780 2.384 2.685 990 3HB ALA 118 3HB ALA 118 5.480 3.575 2.733 991 H VAL 119 H VAL 119 9.086 2.665 2.286 992 HA VAL 119 HA VAL 119 10.416 2.106 4.715 993 HB VAL 119 HB VAL 119 11.350 1.598 1.875 994 1HG1 VAL 119 1HG1 VAL 119 12.784 -0.119 2.852 995 2HG1 VAL 119 2HG1 VAL 119 12.260 0.350 4.469 996 3HG1 VAL 119 3HG1 VAL 119 13.191 1.479 3.483 997 1HG2 VAL 119 1HG2 VAL 119 10.458 -0.662 2.225 998 2HG2 VAL 119 2HG2 VAL 119 9.193 0.560 2.370 999 3HG2 VAL 119 3HG2 VAL 119 9.870 -0.181 3.818 1000 H ASN 120 H ASN 120 11.055 4.414 2.144 1001 HA ASN 120 HA ASN 120 13.690 5.096 2.816 1002 1HB ASN 120 2HB ASN 120 12.362 5.797 0.753 1003 2HB ASN 120 1HB ASN 120 11.634 7.040 1.766 1004 1HD2 ASN 120 1HD2 ASN 120 14.504 5.967 0.155 1005 2HD2 ASN 120 2HD2 ASN 120 15.414 7.425 0.358 1006 H SER 121 H SER 121 10.593 6.152 4.109 1007 HA SER 121 HA SER 121 11.623 8.278 5.688 1008 1HB SER 121 2HB SER 121 9.220 8.011 4.977 1009 2HB SER 121 1HB SER 121 9.077 6.715 6.164 1010 HG SER 121 HG SER 121 9.413 8.166 7.802 1011 H LEU 122 H LEU 122 11.249 4.836 6.169 1012 HA LEU 122 HA LEU 122 11.782 4.920 8.985 1013 1HB LEU 122 2HB LEU 122 11.631 2.717 6.959 1014 2HB LEU 122 1HB LEU 122 12.288 2.401 8.551 1015 HG LEU 122 HG LEU 122 10.033 1.725 8.629 1016 1HD1 LEU 122 1HD1 LEU 122 10.724 2.959 10.591 1017 2HD1 LEU 122 2HD1 LEU 122 9.017 3.257 10.255 1018 3HD1 LEU 122 3HD1 LEU 122 10.223 4.474 9.840 1019 1HD2 LEU 122 1HD2 LEU 122 9.295 4.388 7.429 1020 2HD2 LEU 122 2HD2 LEU 122 8.156 3.167 7.995 1021 3HD2 LEU 122 3HD2 LEU 122 9.214 2.819 6.627 1022 H GLU 123 H GLU 123 13.652 4.583 6.069 1023 HA GLU 123 HA GLU 123 16.089 3.911 7.450 1024 1HB GLU 123 2HB GLU 123 15.618 4.761 4.586 1025 2HB GLU 123 1HB GLU 123 17.151 4.186 5.227 1026 1HG GLU 123 2HG GLU 123 16.090 2.033 5.768 1027 2HG GLU 123 1HG GLU 123 14.592 2.615 5.043 1028 H HIS 124 H HIS 124 14.363 6.718 7.045 1029 HA HIS 124 HA HIS 124 16.721 8.450 7.173 1030 1HB HIS 124 2HB HIS 124 14.565 8.920 5.759 1031 2HB HIS 124 1HB HIS 124 13.869 9.414 7.298 1032 HD1 HIS 124 1HD HIS 124 14.564 11.694 8.223 1033 HD2 HIS 124 2HD HIS 124 16.653 10.594 4.797 1034 HE1 HIS 124 1HE HIS 124 15.764 13.766 7.463 1035 HE2 HIS 124 2HE HIS 124 16.991 13.099 5.367 1036 H HIS 125 H HIS 125 17.491 9.082 9.078 1037 HA HIS 125 HA HIS 125 16.729 7.908 11.453 1038 1HB HIS 125 2HB HIS 125 18.385 10.321 10.847 1039 2HB HIS 125 1HB HIS 125 18.007 9.927 12.518 1040 HD1 HIS 125 1HD HIS 125 19.337 8.105 13.610 1041 HD2 HIS 125 2HD HIS 125 19.966 8.334 9.502 1042 HE1 HIS 125 1HE HIS 125 21.281 6.581 13.133 1043 HE2 HIS 125 2HE HIS 125 21.516 6.588 10.623 1044 H HIS 126 H HIS 126 16.133 11.333 10.606 1045 HA HIS 126 HA HIS 126 13.991 11.265 12.628 1046 1HB HIS 126 2HB HIS 126 15.927 12.738 13.199 1047 2HB HIS 126 1HB HIS 126 15.568 13.696 11.765 1048 HD1 HIS 126 1HD HIS 126 14.140 15.665 12.193 1049 HD2 HIS 126 2HD HIS 126 13.555 12.668 15.020 1050 HE1 HIS 126 1HE HIS 126 12.474 16.594 13.833 1051 HE2 HIS 126 2HE HIS 126 11.980 14.690 15.413 1052 H HIS 127 H HIS 127 12.004 11.808 12.058 1053 HA HIS 127 HA HIS 127 11.369 12.228 9.287 1054 1HB HIS 127 2HB HIS 127 10.028 10.949 11.114 1055 2HB HIS 127 1HB HIS 127 9.436 12.540 11.573 1056 HD1 HIS 127 1HD HIS 127 8.889 9.800 9.210 1057 HD2 HIS 127 2HD HIS 127 7.909 13.843 9.470 1058 HE1 HIS 127 1HE HIS 127 7.066 10.178 7.513 1059 HE2 HIS 127 2HE HIS 127 6.566 12.648 7.609 1060 H HIS 128 H HIS 128 10.732 14.110 8.297 1061 HA HIS 128 HA HIS 128 11.504 16.551 9.637 1062 1HB HIS 128 2HB HIS 128 10.579 15.941 6.838 1063 2HB HIS 128 1HB HIS 128 10.771 17.595 7.402 1064 HD1 HIS 128 1HD HIS 128 12.448 16.321 5.090 1065 HD2 HIS 128 2HD HIS 128 13.687 16.725 9.043 1066 HE1 HIS 128 1HE HIS 128 14.965 16.321 5.018 1067 HE2 HIS 128 2HE HIS 128 15.678 16.803 7.387 1068 H HIS 129 H HIS 129 9.891 16.582 11.291 1069 HA HIS 129 HA HIS 129 7.999 18.550 10.725 1070 1HB HIS 129 2HB HIS 129 6.769 16.533 9.756 1071 2HB HIS 129 1HB HIS 129 6.636 15.944 11.412 1072 HD1 HIS 129 1HD HIS 129 4.758 16.872 12.805 1073 HD2 HIS 129 2HD HIS 129 5.416 19.067 9.331 1074 HE1 HIS 129 1HE HIS 129 2.885 18.547 12.691 1075 HE2 HIS 129 2HE HIS 129 3.388 19.968 10.669 Start of MODEL 7 1 1H MET 1 1HT MET 1 19.969 0.456 5.920 2 2H MET 1 2HT MET 1 18.585 0.438 6.885 3 3H MET 1 3HT MET 1 18.563 1.246 5.395 4 HA MET 1 HA MET 1 17.410 -0.861 5.275 5 1HB MET 1 2HB MET 1 18.692 0.063 3.316 6 2HB MET 1 1HB MET 1 20.039 -0.966 3.780 7 1HG MET 1 2HG MET 1 18.833 -2.017 2.008 8 2HG MET 1 1HG MET 1 18.576 -2.937 3.489 9 1HE MET 1 1HE MET 1 15.166 -3.374 1.619 10 2HE MET 1 2HE MET 1 16.525 -4.199 2.387 11 3HE MET 1 3HE MET 1 16.770 -3.296 0.891 12 H SER 2 H SER 2 17.469 -1.988 7.237 13 HA SER 2 HA SER 2 19.272 -4.270 7.199 14 1HB SER 2 2HB SER 2 19.713 -3.961 9.683 15 2HB SER 2 1HB SER 2 20.523 -2.806 8.626 16 HG SER 2 HG SER 2 18.728 -2.354 10.592 17 H ILE 3 H ILE 3 16.356 -3.516 6.893 18 HA ILE 3 HA ILE 3 15.262 -5.484 8.767 19 HB ILE 3 HB ILE 3 13.267 -4.054 9.145 20 1HG1 ILE 3 2HG1 ILE 3 14.991 -1.891 7.907 21 2HG1 ILE 3 1HG1 ILE 3 13.528 -2.571 7.202 22 1HG2 ILE 3 1HG2 ILE 3 15.007 -4.223 10.840 23 2HG2 ILE 3 2HG2 ILE 3 14.284 -2.613 10.833 24 3HG2 ILE 3 3HG2 ILE 3 15.869 -2.873 10.101 25 1HD1 ILE 3 1HD1 ILE 3 13.693 -0.997 9.765 26 2HD1 ILE 3 2HD1 ILE 3 12.224 -1.682 9.070 27 3HD1 ILE 3 3HD1 ILE 3 13.094 -0.408 8.213 28 H SER 4 H SER 4 12.817 -5.685 8.182 29 HA SER 4 HA SER 4 12.384 -5.540 5.307 30 1HB SER 4 2HB SER 4 11.935 -8.034 6.974 31 2HB SER 4 1HB SER 4 11.452 -7.835 5.290 32 HG SER 4 HG SER 4 13.675 -7.537 4.782 33 H THR 5 H THR 5 10.968 -3.919 5.586 34 HA THR 5 HA THR 5 9.031 -3.730 7.622 35 HB THR 5 HB THR 5 7.975 -2.010 6.162 36 HG1 THR 5 1HG THR 5 10.090 -2.661 4.344 37 1HG2 THR 5 1HG2 THR 5 9.806 -1.394 7.659 38 2HG2 THR 5 2HG2 THR 5 9.880 -0.460 6.166 39 3HG2 THR 5 3HG2 THR 5 10.981 -1.815 6.413 40 H SER 6 H SER 6 6.688 -3.786 7.371 41 HA SER 6 HA SER 6 5.651 -6.181 6.520 42 1HB SER 6 2HB SER 6 4.101 -3.589 6.570 43 2HB SER 6 1HB SER 6 3.487 -5.217 6.860 44 HG SER 6 HG SER 6 3.780 -4.290 8.835 45 H ALA 7 H ALA 7 5.825 -3.120 4.760 46 HA ALA 7 HA ALA 7 4.373 -3.811 2.489 47 1HB ALA 7 1HB ALA 7 5.141 -1.533 3.021 48 2HB ALA 7 2HB ALA 7 5.545 -2.014 1.375 49 3HB ALA 7 3HB ALA 7 6.791 -2.014 2.623 50 H GLU 8 H GLU 8 7.900 -4.074 3.033 51 HA GLU 8 HA GLU 8 8.523 -5.341 0.622 52 1HB GLU 8 2HB GLU 8 9.869 -5.576 3.317 53 2HB GLU 8 1HB GLU 8 10.570 -6.111 1.794 54 1HG GLU 8 2HG GLU 8 10.694 -3.887 0.975 55 2HG GLU 8 1HG GLU 8 9.723 -3.274 2.313 56 H VAL 9 H VAL 9 7.529 -6.703 3.734 57 HA VAL 9 HA VAL 9 7.969 -9.413 3.144 58 HB VAL 9 HB VAL 9 5.898 -8.210 4.993 59 1HG1 VAL 9 1HG1 VAL 9 5.844 -10.389 6.089 60 2HG1 VAL 9 2HG1 VAL 9 6.969 -11.031 4.893 61 3HG1 VAL 9 3HG1 VAL 9 5.352 -10.527 4.401 62 1HG2 VAL 9 1HG2 VAL 9 8.206 -7.582 5.538 63 2HG2 VAL 9 2HG2 VAL 9 8.657 -9.287 5.569 64 3HG2 VAL 9 3HG2 VAL 9 7.520 -8.655 6.760 65 H TYR 10 H TYR 10 4.893 -7.591 2.979 66 HA TYR 10 HA TYR 10 3.405 -9.695 1.831 67 1HB TYR 10 2HB TYR 10 2.996 -6.708 1.828 68 2HB TYR 10 1HB TYR 10 1.849 -7.820 1.096 69 HD1 TYR 10 1HD TYR 10 0.593 -9.419 2.530 70 HD2 TYR 10 2HD TYR 10 3.091 -6.402 4.189 71 HE1 TYR 10 1HE TYR 10 -0.540 -9.673 4.698 72 HE2 TYR 10 2HE TYR 10 1.970 -6.655 6.357 73 HH TYR 10 HH TYR 10 -0.189 -7.426 7.217 74 H TYR 11 H TYR 11 5.327 -7.106 0.431 75 HA TYR 11 HA TYR 11 4.462 -7.408 -2.234 76 1HB TYR 11 2HB TYR 11 5.823 -5.490 -1.151 77 2HB TYR 11 1HB TYR 11 7.231 -6.493 -1.486 78 HD1 TYR 11 2HD TYR 11 4.356 -4.784 -3.074 79 HD2 TYR 11 1HD TYR 11 8.196 -6.524 -3.639 80 HE1 TYR 11 2HE TYR 11 4.426 -3.871 -5.355 81 HE2 TYR 11 1HE TYR 11 8.279 -5.611 -5.919 82 HH TYR 11 HH TYR 11 6.042 -3.278 -7.054 83 H GLU 12 H GLU 12 7.084 -8.904 -0.394 84 HA GLU 12 HA GLU 12 8.270 -10.278 -2.563 85 1HB GLU 12 2HB GLU 12 9.316 -9.853 -0.309 86 2HB GLU 12 1HB GLU 12 8.288 -11.123 0.343 87 1HG GLU 12 2HG GLU 12 9.317 -12.744 -1.143 88 2HG GLU 12 1HG GLU 12 10.314 -11.477 -1.855 89 H GLU 13 H GLU 13 5.554 -11.021 -0.462 90 HA GLU 13 HA GLU 13 5.258 -13.727 -1.298 91 1HB GLU 13 2HB GLU 13 3.159 -11.804 -0.273 92 2HB GLU 13 1HB GLU 13 2.947 -13.539 -0.451 93 1HG GLU 13 2HG GLU 13 4.781 -13.869 1.193 94 2HG GLU 13 1HG GLU 13 4.816 -12.123 1.438 95 H ALA 14 H ALA 14 4.028 -10.641 -2.481 96 HA ALA 14 HA ALA 14 2.374 -11.657 -4.527 97 1HB ALA 14 1HB ALA 14 2.303 -9.320 -3.788 98 2HB ALA 14 2HB ALA 14 2.557 -9.443 -5.528 99 3HB ALA 14 3HB ALA 14 3.912 -9.063 -4.465 100 H GLU 15 H GLU 15 5.769 -10.676 -4.477 101 HA GLU 15 HA GLU 15 6.285 -11.251 -7.189 102 1HB GLU 15 2HB GLU 15 8.255 -11.238 -4.895 103 2HB GLU 15 1HB GLU 15 8.636 -11.056 -6.599 104 1HG GLU 15 2HG GLU 15 7.144 -9.127 -4.842 105 2HG GLU 15 1HG GLU 15 8.730 -8.906 -5.574 106 H GLU 16 H GLU 16 6.363 -13.219 -4.267 107 HA GLU 16 HA GLU 16 7.566 -15.516 -5.277 108 1HB GLU 16 2HB GLU 16 6.497 -14.740 -2.914 109 2HB GLU 16 1HB GLU 16 5.269 -15.860 -3.475 110 1HG GLU 16 2HG GLU 16 8.180 -16.538 -3.255 111 2HG GLU 16 1HG GLU 16 6.988 -16.834 -1.998 112 H PHE 17 H PHE 17 4.120 -14.683 -5.089 113 HA PHE 17 HA PHE 17 3.235 -16.888 -6.630 114 1HB PHE 17 2HB PHE 17 1.942 -14.247 -5.975 115 2HB PHE 17 1HB PHE 17 1.138 -15.468 -6.957 116 HD1 PHE 17 2HD PHE 17 0.959 -17.834 -5.916 117 HD2 PHE 17 1HD PHE 17 1.704 -14.297 -3.670 118 HE1 PHE 17 2HE PHE 17 0.162 -18.964 -3.881 119 HE2 PHE 17 1HE PHE 17 0.911 -15.422 -1.631 120 HZ PHE 17 HZ PHE 17 0.139 -17.756 -1.735 121 H LEU 18 H LEU 18 4.314 -13.673 -7.505 122 HA LEU 18 HA LEU 18 3.568 -13.766 -10.234 123 1HB LEU 18 2HB LEU 18 4.213 -11.705 -9.040 124 2HB LEU 18 1HB LEU 18 5.861 -12.294 -8.933 125 HG LEU 18 HG LEU 18 5.963 -12.288 -11.432 126 1HD1 LEU 18 1HD1 LEU 18 4.271 -11.011 -12.653 127 2HD1 LEU 18 2HD1 LEU 18 3.320 -10.860 -11.176 128 3HD1 LEU 18 3HD1 LEU 18 3.583 -12.447 -11.896 129 1HD2 LEU 18 1HD2 LEU 18 5.342 -9.667 -10.076 130 2HD2 LEU 18 2HD2 LEU 18 6.159 -9.845 -11.628 131 3HD2 LEU 18 3HD2 LEU 18 6.914 -10.464 -10.159 132 H SER 19 H SER 19 6.322 -14.987 -8.451 133 HA SER 19 HA SER 19 7.823 -15.720 -10.792 134 1HB SER 19 2HB SER 19 8.135 -16.667 -7.927 135 2HB SER 19 1HB SER 19 9.315 -16.872 -9.221 136 HG SER 19 HG SER 19 8.401 -14.388 -8.165 137 H LYS 20 H LYS 20 5.280 -17.067 -8.935 138 HA LYS 20 HA LYS 20 5.617 -19.779 -9.835 139 1HB LYS 20 2HB LYS 20 4.471 -19.187 -7.703 140 2HB LYS 20 1HB LYS 20 3.187 -18.428 -8.632 141 1HG LYS 20 2HG LYS 20 2.490 -20.611 -7.910 142 2HG LYS 20 1HG LYS 20 2.680 -20.605 -9.664 143 1HD LYS 20 2HD LYS 20 4.836 -21.700 -9.463 144 2HD LYS 20 1HD LYS 20 4.732 -21.629 -7.701 145 1HE LYS 20 2HE LYS 20 2.815 -23.110 -9.500 146 2HE LYS 20 1HE LYS 20 4.146 -23.849 -8.609 147 1HZ LYS 20 1HZ LYS 20 1.910 -22.359 -7.337 148 2HZ LYS 20 2HZ LYS 20 3.120 -23.244 -6.548 149 3HZ LYS 20 3HZ LYS 20 1.963 -24.047 -7.495 150 H GLY 21 H GLY 21 3.509 -17.037 -10.629 151 1HA GLY 21 2HA GLY 21 3.220 -16.697 -13.082 152 2HA GLY 21 1HA GLY 21 2.856 -18.412 -13.165 153 H ASP 22 H ASP 22 1.628 -16.734 -10.424 154 HA ASP 22 HA ASP 22 -1.041 -16.686 -11.679 155 1HB ASP 22 2HB ASP 22 -0.781 -18.194 -9.690 156 2HB ASP 22 1HB ASP 22 -0.412 -16.772 -8.716 157 H LEU 23 H LEU 23 -1.811 -14.752 -12.138 158 HA LEU 23 HA LEU 23 -0.458 -12.401 -11.113 159 1HB LEU 23 2HB LEU 23 -2.726 -12.655 -13.091 160 2HB LEU 23 1HB LEU 23 -1.880 -11.170 -12.706 161 HG LEU 23 HG LEU 23 -0.645 -13.599 -14.009 162 1HD1 LEU 23 1HD1 LEU 23 -0.516 -12.153 -15.999 163 2HD1 LEU 23 2HD1 LEU 23 -1.449 -10.924 -15.144 164 3HD1 LEU 23 3HD1 LEU 23 -2.176 -12.489 -15.510 165 1HD2 LEU 23 1HD2 LEU 23 1.292 -12.151 -14.372 166 2HD2 LEU 23 2HD2 LEU 23 0.965 -12.370 -12.652 167 3HD2 LEU 23 3HD2 LEU 23 0.508 -10.866 -13.453 168 H VAL 24 H VAL 24 -3.452 -14.088 -10.616 169 HA VAL 24 HA VAL 24 -4.983 -11.841 -9.766 170 HB VAL 24 HB VAL 24 -5.515 -14.765 -9.219 171 1HG1 VAL 24 1HG1 VAL 24 -6.821 -13.297 -7.799 172 2HG1 VAL 24 2HG1 VAL 24 -7.854 -14.059 -9.010 173 3HG1 VAL 24 3HG1 VAL 24 -7.356 -12.378 -9.206 174 1HG2 VAL 24 1HG2 VAL 24 -6.963 -14.674 -11.203 175 2HG2 VAL 24 2HG2 VAL 24 -5.269 -14.386 -11.598 176 3HG2 VAL 24 3HG2 VAL 24 -6.398 -13.034 -11.523 177 H GLN 25 H GLN 25 -3.457 -14.537 -8.012 178 HA GLN 25 HA GLN 25 -4.204 -13.527 -5.444 179 1HB GLN 25 2HB GLN 25 -1.969 -15.470 -6.044 180 2HB GLN 25 1HB GLN 25 -2.876 -15.308 -4.545 181 1HG GLN 25 2HG GLN 25 -4.905 -16.054 -5.711 182 2HG GLN 25 1HG GLN 25 -3.962 -16.270 -7.182 183 1HE2 GLN 25 1HE2 GLN 25 -4.247 -18.427 -7.382 184 2HE2 GLN 25 2HE2 GLN 25 -3.627 -19.592 -6.262 185 H ALA 26 H ALA 26 -1.457 -13.149 -7.557 186 HA ALA 26 HA ALA 26 0.343 -11.994 -5.722 187 1HB ALA 26 1HB ALA 26 0.127 -11.537 -8.695 188 2HB ALA 26 2HB ALA 26 1.053 -12.817 -7.909 189 3HB ALA 26 3HB ALA 26 1.513 -11.129 -7.682 190 H CYS 27 H CYS 27 -2.176 -10.603 -7.785 191 HA CYS 27 HA CYS 27 -1.629 -7.904 -7.389 192 1HB CYS 27 2HB CYS 27 -4.262 -9.310 -7.841 193 2HB CYS 27 1HB CYS 27 -4.093 -7.557 -7.828 194 HG CYS 27 HG CYS 27 -2.744 -9.751 -10.079 195 H GLU 28 H GLU 28 -3.744 -10.036 -5.483 196 HA GLU 28 HA GLU 28 -4.498 -8.121 -3.581 197 1HB GLU 28 2HB GLU 28 -4.535 -11.064 -3.765 198 2HB GLU 28 1HB GLU 28 -4.531 -10.413 -2.130 199 1HG GLU 28 2HG GLU 28 -6.503 -9.697 -4.293 200 2HG GLU 28 1HG GLU 28 -6.793 -10.823 -2.965 201 H LYS 29 H LYS 29 -1.733 -10.330 -3.678 202 HA LYS 29 HA LYS 29 -0.854 -9.885 -1.058 203 1HB LYS 29 2HB LYS 29 0.633 -10.774 -3.518 204 2HB LYS 29 1HB LYS 29 1.363 -10.721 -1.922 205 1HG LYS 29 2HG LYS 29 -1.174 -12.239 -2.336 206 2HG LYS 29 1HG LYS 29 0.362 -12.940 -2.837 207 1HD LYS 29 2HD LYS 29 -0.134 -13.716 -0.629 208 2HD LYS 29 1HD LYS 29 1.211 -12.583 -0.526 209 1HE LYS 29 2HE LYS 29 -0.315 -10.826 0.210 210 2HE LYS 29 1HE LYS 29 -1.675 -11.941 0.077 211 1HZ LYS 29 1HZ LYS 29 0.649 -12.247 1.912 212 2HZ LYS 29 2HZ LYS 29 -0.653 -13.332 1.774 213 3HZ LYS 29 3HZ LYS 29 -0.920 -11.765 2.361 214 H TYR 30 H TYR 30 0.222 -8.264 -4.096 215 HA TYR 30 HA TYR 30 1.965 -6.578 -2.552 216 1HB TYR 30 2HB TYR 30 2.464 -5.372 -4.606 217 2HB TYR 30 1HB TYR 30 2.605 -7.102 -4.844 218 HD1 TYR 30 1HD TYR 30 0.059 -4.379 -5.290 219 HD2 TYR 30 2HD TYR 30 1.781 -7.964 -6.801 220 HE1 TYR 30 1HE TYR 30 -1.327 -4.190 -7.310 221 HE2 TYR 30 2HE TYR 30 0.392 -7.787 -8.819 222 HH TYR 30 HH TYR 30 -1.736 -6.724 -9.511 223 H TYR 31 H TYR 31 -1.339 -6.439 -3.544 224 HA TYR 31 HA TYR 31 -1.698 -3.665 -3.052 225 1HB TYR 31 2HB TYR 31 -3.405 -4.823 -4.297 226 2HB TYR 31 1HB TYR 31 -3.665 -5.962 -2.977 227 HD1 TYR 31 2HD TYR 31 -3.545 -2.240 -3.323 228 HD2 TYR 31 1HD TYR 31 -5.632 -5.639 -1.853 229 HE1 TYR 31 2HE TYR 31 -5.235 -0.760 -2.327 230 HE2 TYR 31 1HE TYR 31 -7.326 -4.172 -0.850 231 HH TYR 31 HH TYR 31 -7.318 -1.691 0.010 232 H LYS 32 H LYS 32 -1.839 -6.554 -1.024 233 HA LYS 32 HA LYS 32 -2.695 -5.410 1.368 234 1HB LYS 32 2HB LYS 32 -0.619 -7.578 0.962 235 2HB LYS 32 1HB LYS 32 -1.395 -7.205 2.491 236 1HG LYS 32 2HG LYS 32 -3.101 -7.908 0.155 237 2HG LYS 32 1HG LYS 32 -2.214 -9.187 0.983 238 1HD LYS 32 2HD LYS 32 -4.408 -9.051 1.935 239 2HD LYS 32 1HD LYS 32 -3.255 -8.441 3.119 240 1HE LYS 32 2HE LYS 32 -5.191 -7.017 3.095 241 2HE LYS 32 1HE LYS 32 -3.820 -6.137 2.422 242 1HZ LYS 32 1HZ LYS 32 -5.599 -5.672 1.018 243 2HZ LYS 32 2HZ LYS 32 -6.157 -7.274 1.001 244 3HZ LYS 32 3HZ LYS 32 -4.733 -6.866 0.179 245 H ALA 33 H ALA 33 0.514 -5.547 -0.098 246 HA ALA 33 HA ALA 33 1.933 -4.284 1.991 247 1HB ALA 33 1HB ALA 33 3.694 -3.965 0.345 248 2HB ALA 33 2HB ALA 33 2.568 -4.362 -0.952 249 3HB ALA 33 3HB ALA 33 3.019 -5.590 0.231 250 H ALA 34 H ALA 34 0.134 -3.045 -0.754 251 HA ALA 34 HA ALA 34 1.023 -0.371 -0.605 252 1HB ALA 34 1HB ALA 34 -1.605 -1.416 -1.645 253 2HB ALA 34 2HB ALA 34 -0.113 -1.276 -2.574 254 3HB ALA 34 3HB ALA 34 -0.914 0.173 -1.970 255 H GLU 35 H GLU 35 -1.807 -2.021 0.802 256 HA GLU 35 HA GLU 35 -2.835 0.278 2.097 257 1HB GLU 35 2HB GLU 35 -3.210 -2.547 3.091 258 2HB GLU 35 1HB GLU 35 -4.310 -1.183 3.252 259 1HG GLU 35 2HG GLU 35 -4.618 -1.229 0.783 260 2HG GLU 35 1HG GLU 35 -3.652 -2.698 0.741 261 H GLU 36 H GLU 36 -0.571 -2.249 3.050 262 HA GLU 36 HA GLU 36 -0.115 -1.538 5.709 263 1HB GLU 36 2HB GLU 36 1.676 -2.729 3.602 264 2HB GLU 36 1HB GLU 36 2.254 -2.423 5.231 265 1HG GLU 36 2HG GLU 36 -0.107 -4.157 4.561 266 2HG GLU 36 1HG GLU 36 1.530 -4.748 4.837 267 H ALA 37 H ALA 37 1.544 -0.428 2.772 268 HA ALA 37 HA ALA 37 3.427 1.219 4.001 269 1HB ALA 37 1HB ALA 37 3.710 2.271 1.824 270 2HB ALA 37 2HB ALA 37 2.195 1.557 1.269 271 3HB ALA 37 3HB ALA 37 3.568 0.521 1.661 272 H ILE 38 H ILE 38 0.184 2.026 2.786 273 HA ILE 38 HA ILE 38 0.323 4.784 3.176 274 HB ILE 38 HB ILE 38 -2.061 2.939 3.278 275 1HG1 ILE 38 2HG1 ILE 38 -0.886 3.056 1.126 276 2HG1 ILE 38 1HG1 ILE 38 -2.481 3.791 1.020 277 1HG2 ILE 38 1HG2 ILE 38 -2.606 4.942 4.533 278 2HG2 ILE 38 2HG2 ILE 38 -3.461 4.936 2.991 279 3HG2 ILE 38 3HG2 ILE 38 -2.038 5.954 3.205 280 1HD1 ILE 38 1HD1 ILE 38 0.137 5.254 1.272 281 2HD1 ILE 38 2HD1 ILE 38 -1.456 6.007 1.200 282 3HD1 ILE 38 3HD1 ILE 38 -0.845 5.104 -0.185 283 H LYS 39 H LYS 39 -0.885 2.286 5.432 284 HA LYS 39 HA LYS 39 -1.436 4.221 7.445 285 1HB LYS 39 2HB LYS 39 -1.722 2.266 8.968 286 2HB LYS 39 1HB LYS 39 -2.725 2.234 7.531 287 1HG LYS 39 2HG LYS 39 -1.076 0.657 6.517 288 2HG LYS 39 1HG LYS 39 -0.273 0.591 8.089 289 1HD LYS 39 2HD LYS 39 -2.335 -0.199 9.128 290 2HD LYS 39 1HD LYS 39 -3.166 -0.098 7.575 291 1HE LYS 39 2HE LYS 39 -2.590 -2.376 7.935 292 2HE LYS 39 1HE LYS 39 -1.524 -1.749 6.682 293 1HZ LYS 39 1HZ LYS 39 0.166 -1.422 8.436 294 2HZ LYS 39 2HZ LYS 39 -0.243 -3.042 8.184 295 3HZ LYS 39 3HZ LYS 39 -0.851 -2.213 9.536 296 H LEU 40 H LEU 40 1.365 2.247 6.665 297 HA LEU 40 HA LEU 40 2.845 2.720 8.998 298 1HB LEU 40 2HB LEU 40 3.691 2.288 6.140 299 2HB LEU 40 1HB LEU 40 4.831 2.432 7.453 300 HG LEU 40 HG LEU 40 2.728 0.305 7.201 301 1HD1 LEU 40 1HD1 LEU 40 4.535 0.040 5.587 302 2HD1 LEU 40 2HD1 LEU 40 4.597 -1.210 6.828 303 3HD1 LEU 40 3HD1 LEU 40 5.719 0.149 6.888 304 1HD2 LEU 40 1HD2 LEU 40 4.898 0.668 9.259 305 2HD2 LEU 40 2HD2 LEU 40 3.827 -0.726 9.126 306 3HD2 LEU 40 3HD2 LEU 40 3.166 0.858 9.528 307 H LEU 41 H LEU 41 2.548 4.595 5.992 308 HA LEU 41 HA LEU 41 4.281 6.695 6.714 309 1HB LEU 41 2HB LEU 41 2.086 6.344 4.746 310 2HB LEU 41 1HB LEU 41 2.523 7.990 5.151 311 HG LEU 41 HG LEU 41 4.844 7.546 4.434 312 1HD1 LEU 41 1HD1 LEU 41 3.777 4.854 3.602 313 2HD1 LEU 41 2HD1 LEU 41 4.944 5.160 4.889 314 3HD1 LEU 41 3HD1 LEU 41 5.370 5.503 3.212 315 1HD2 LEU 41 1HD2 LEU 41 4.378 7.429 2.043 316 2HD2 LEU 41 2HD2 LEU 41 3.220 8.474 2.866 317 3HD2 LEU 41 3HD2 LEU 41 2.748 6.846 2.382 318 H VAL 42 H VAL 42 0.819 6.215 7.229 319 HA VAL 42 HA VAL 42 0.227 8.692 8.392 320 HB VAL 42 HB VAL 42 -1.038 6.000 8.950 321 1HG1 VAL 42 1HG1 VAL 42 -2.080 8.780 9.486 322 2HG1 VAL 42 2HG1 VAL 42 -1.574 7.607 10.703 323 3HG1 VAL 42 3HG1 VAL 42 -2.988 7.284 9.702 324 1HG2 VAL 42 1HG2 VAL 42 -1.128 6.619 6.598 325 2HG2 VAL 42 2HG2 VAL 42 -1.812 8.189 7.023 326 3HG2 VAL 42 3HG2 VAL 42 -2.729 6.714 7.328 327 H ILE 43 H ILE 43 1.643 5.786 9.747 328 HA ILE 43 HA ILE 43 1.456 6.619 12.470 329 HB ILE 43 HB ILE 43 3.228 4.531 11.191 330 1HG1 ILE 43 2HG1 ILE 43 0.675 4.254 12.799 331 2HG1 ILE 43 1HG1 ILE 43 0.782 4.115 11.048 332 1HG2 ILE 43 1HG2 ILE 43 3.533 3.675 13.486 333 2HG2 ILE 43 2HG2 ILE 43 2.686 5.091 14.105 334 3HG2 ILE 43 3HG2 ILE 43 4.225 5.282 13.266 335 1HD1 ILE 43 1HD1 ILE 43 2.098 2.309 13.061 336 2HD1 ILE 43 2HD1 ILE 43 2.261 2.175 11.309 337 3HD1 ILE 43 3HD1 ILE 43 0.689 1.930 12.072 338 H GLU 44 H GLU 44 4.136 6.625 10.096 339 HA GLU 44 HA GLU 44 5.966 7.751 11.974 340 1HB GLU 44 2HB GLU 44 7.496 8.011 10.068 341 2HB GLU 44 1HB GLU 44 6.822 6.392 10.174 342 1HG GLU 44 2HG GLU 44 5.533 6.664 8.287 343 2HG GLU 44 1HG GLU 44 5.547 8.425 8.404 344 H ASN 45 H ASN 45 3.981 9.104 9.365 345 HA ASN 45 HA ASN 45 4.945 11.772 9.703 346 1HB ASN 45 2HB ASN 45 2.491 10.604 8.404 347 2HB ASN 45 1HB ASN 45 2.682 12.342 8.574 348 1HD2 ASN 45 1HD2 ASN 45 5.347 10.136 7.965 349 2HD2 ASN 45 2HD2 ASN 45 5.674 10.689 6.363 350 H ASN 46 H ASN 46 2.764 9.739 11.323 351 HA ASN 46 HA ASN 46 1.590 9.881 13.222 352 1HB ASN 46 2HB ASN 46 3.627 10.943 14.128 353 2HB ASN 46 1HB ASN 46 2.998 12.517 13.656 354 1HD2 ASN 46 1HD2 ASN 46 1.421 13.482 14.879 355 2HD2 ASN 46 2HD2 ASN 46 0.901 12.858 16.409 356 H LEU 47 H LEU 47 -0.231 10.073 11.745 357 HA LEU 47 HA LEU 47 -1.611 12.629 12.048 358 1HB LEU 47 2HB LEU 47 -2.468 10.076 10.686 359 2HB LEU 47 1HB LEU 47 -3.395 11.554 10.722 360 HG LEU 47 HG LEU 47 -0.727 11.182 9.364 361 1HD1 LEU 47 1HD1 LEU 47 -3.492 11.569 8.227 362 2HD1 LEU 47 2HD1 LEU 47 -2.573 10.065 8.218 363 3HD1 LEU 47 3HD1 LEU 47 -1.997 11.458 7.301 364 1HD2 LEU 47 1HD2 LEU 47 -0.954 13.440 10.229 365 2HD2 LEU 47 2HD2 LEU 47 -2.546 13.585 9.484 366 3HD2 LEU 47 3HD2 LEU 47 -1.110 13.436 8.472 367 H LYS 48 H LYS 48 -1.973 12.699 14.227 368 HA LYS 48 HA LYS 48 -2.626 10.531 15.857 369 1HB LYS 48 2HB LYS 48 -2.509 13.439 16.079 370 2HB LYS 48 1HB LYS 48 -3.710 12.713 17.128 371 1HG LYS 48 2HG LYS 48 -0.851 11.803 17.022 372 2HG LYS 48 1HG LYS 48 -1.436 13.040 18.136 373 1HD LYS 48 2HD LYS 48 -3.019 11.434 19.088 374 2HD LYS 48 1HD LYS 48 -2.446 10.201 17.962 375 1HE LYS 48 2HE LYS 48 -0.268 10.209 18.962 376 2HE LYS 48 1HE LYS 48 -0.686 11.599 19.966 377 1HZ LYS 48 1HZ LYS 48 -1.988 8.930 20.148 378 2HZ LYS 48 2HZ LYS 48 -2.267 10.263 21.157 379 3HZ LYS 48 3HZ LYS 48 -0.761 9.488 21.181 380 H GLU 49 H GLU 49 -4.655 12.823 14.145 381 HA GLU 49 HA GLU 49 -7.121 12.157 15.268 382 1HB GLU 49 2HB GLU 49 -6.429 13.217 12.537 383 2HB GLU 49 1HB GLU 49 -8.055 13.161 13.193 384 1HG GLU 49 2HG GLU 49 -5.743 14.702 14.340 385 2HG GLU 49 1HG GLU 49 -7.087 15.376 13.418 386 H ILE 50 H ILE 50 -5.165 10.427 13.064 387 HA ILE 50 HA ILE 50 -7.412 8.778 12.139 388 HB ILE 50 HB ILE 50 -4.547 8.898 11.180 389 1HG1 ILE 50 2HG1 ILE 50 -5.833 10.906 10.621 390 2HG1 ILE 50 1HG1 ILE 50 -5.490 9.959 9.176 391 1HG2 ILE 50 1HG2 ILE 50 -5.240 7.471 9.353 392 2HG2 ILE 50 2HG2 ILE 50 -6.873 7.387 10.012 393 3HG2 ILE 50 3HG2 ILE 50 -5.527 6.672 10.897 394 1HD1 ILE 50 1HD1 ILE 50 -8.102 10.044 10.678 395 2HD1 ILE 50 2HD1 ILE 50 -7.770 9.057 9.253 396 3HD1 ILE 50 3HD1 ILE 50 -7.752 10.817 9.131 397 H THR 51 H THR 51 -4.269 8.534 13.767 398 HA THR 51 HA THR 51 -4.470 5.675 13.978 399 HB THR 51 HB THR 51 -2.283 6.721 13.736 400 HG1 THR 51 1HG THR 51 -2.836 5.222 16.072 401 1HG2 THR 51 1HG2 THR 51 -2.644 8.782 14.950 402 2HG2 THR 51 2HG2 THR 51 -1.253 7.925 15.611 403 3HG2 THR 51 3HG2 THR 51 -2.795 7.890 16.463 404 H ASN 52 H ASN 52 -5.439 8.356 15.947 405 HA ASN 52 HA ASN 52 -5.599 6.871 18.394 406 1HB ASN 52 2HB ASN 52 -6.693 8.751 19.342 407 2HB ASN 52 1HB ASN 52 -5.502 9.406 18.230 408 1HD2 ASN 52 1HD2 ASN 52 -7.842 10.695 19.263 409 2HD2 ASN 52 2HD2 ASN 52 -8.834 11.104 17.907 410 H ASN 53 H ASN 53 -7.490 7.131 15.582 411 HA ASN 53 HA ASN 53 -10.007 6.339 16.580 412 1HB ASN 53 2HB ASN 53 -8.680 6.491 13.913 413 2HB ASN 53 1HB ASN 53 -10.134 5.527 14.036 414 1HD2 ASN 53 1HD2 ASN 53 -9.720 7.922 12.525 415 2HD2 ASN 53 2HD2 ASN 53 -10.848 9.090 13.113 416 H VAL 54 H VAL 54 -7.099 4.635 15.800 417 HA VAL 54 HA VAL 54 -8.352 2.090 15.347 418 HB VAL 54 HB VAL 54 -5.416 2.505 15.878 419 1HG1 VAL 54 1HG1 VAL 54 -6.932 0.584 14.115 420 2HG1 VAL 54 2HG1 VAL 54 -6.182 0.203 15.666 421 3HG1 VAL 54 3HG1 VAL 54 -5.179 0.655 14.289 422 1HG2 VAL 54 1HG2 VAL 54 -6.870 2.979 13.285 423 2HG2 VAL 54 2HG2 VAL 54 -5.120 2.943 13.499 424 3HG2 VAL 54 3HG2 VAL 54 -6.077 4.203 14.276 425 H LYS 55 H LYS 55 -8.144 3.742 18.063 426 HA LYS 55 HA LYS 55 -7.070 1.884 19.920 427 1HB LYS 55 2HB LYS 55 -7.614 4.369 20.298 428 2HB LYS 55 1HB LYS 55 -9.278 3.847 20.519 429 1HG LYS 55 2HG LYS 55 -8.266 4.073 22.664 430 2HG LYS 55 1HG LYS 55 -8.507 2.355 22.348 431 1HD LYS 55 2HD LYS 55 -6.143 2.197 21.634 432 2HD LYS 55 1HD LYS 55 -5.924 3.893 22.068 433 1HE LYS 55 2HE LYS 55 -6.754 1.691 23.957 434 2HE LYS 55 1HE LYS 55 -5.130 2.360 23.826 435 1HZ LYS 55 1HZ LYS 55 -7.546 3.923 24.598 436 2HZ LYS 55 2HZ LYS 55 -5.944 4.480 24.586 437 3HZ LYS 55 3HZ LYS 55 -6.415 3.287 25.689 438 H ASN 56 H ASN 56 -10.143 2.269 18.320 439 HA ASN 56 HA ASN 56 -10.863 -0.432 18.778 440 1HB ASN 56 2HB ASN 56 -11.493 0.660 20.977 441 2HB ASN 56 1HB ASN 56 -12.683 1.596 20.087 442 1HD2 ASN 56 1HD2 ASN 56 -13.062 -0.337 22.232 443 2HD2 ASN 56 2HD2 ASN 56 -14.117 -1.558 21.599 444 H LYS 57 H LYS 57 -12.927 2.435 18.507 445 HA LYS 57 HA LYS 57 -14.101 1.403 16.089 446 1HB LYS 57 2HB LYS 57 -14.651 3.854 17.767 447 2HB LYS 57 1HB LYS 57 -15.587 3.373 16.374 448 1HG LYS 57 2HG LYS 57 -15.231 1.673 18.818 449 2HG LYS 57 1HG LYS 57 -16.605 2.744 18.547 450 1HD LYS 57 2HD LYS 57 -15.812 0.476 16.720 451 2HD LYS 57 1HD LYS 57 -17.059 0.371 17.966 452 1HE LYS 57 2HE LYS 57 -17.065 2.286 15.636 453 2HE LYS 57 1HE LYS 57 -17.998 0.793 15.728 454 1HZ LYS 57 1HZ LYS 57 -19.232 1.669 17.579 455 2HZ LYS 57 2HZ LYS 57 -19.293 2.795 16.310 456 3HZ LYS 57 3HZ LYS 57 -18.269 3.066 17.632 457 H GLY 58 H GLY 58 -12.721 1.634 14.410 458 1HA GLY 58 2HA GLY 58 -12.411 3.462 12.648 459 2HA GLY 58 1HA GLY 58 -11.530 4.284 13.925 460 H ARG 59 H ARG 59 -11.625 1.088 12.428 461 HA ARG 59 HA ARG 59 -8.805 0.752 13.048 462 1HB ARG 59 2HB ARG 59 -10.592 -0.938 13.669 463 2HB ARG 59 1HB ARG 59 -10.752 -1.280 11.955 464 1HG ARG 59 2HG ARG 59 -8.605 -2.216 11.830 465 2HG ARG 59 1HG ARG 59 -8.131 -1.535 13.388 466 1HD ARG 59 2HD ARG 59 -10.271 -3.625 12.990 467 2HD ARG 59 1HD ARG 59 -8.617 -3.958 13.501 468 HE ARG 59 HE ARG 59 -9.262 -2.312 15.408 469 1HH1 ARG 59 1HH1 ARG 59 -11.349 -4.748 13.969 470 2HH1 ARG 59 2HH1 ARG 59 -12.277 -4.978 15.421 471 1HH2 ARG 59 1HH2 ARG 59 -10.498 -2.598 17.278 472 2HH2 ARG 59 2HH2 ARG 59 -11.820 -3.724 17.283 473 H TRP 60 H TRP 60 -7.516 -0.396 11.380 474 HA TRP 60 HA TRP 60 -7.481 1.160 8.983 475 1HB TRP 60 2HB TRP 60 -5.772 -1.211 9.775 476 2HB TRP 60 1HB TRP 60 -5.448 -0.116 8.439 477 HD1 TRP 60 HD TRP 60 -4.662 -0.640 12.000 478 HE1 TRP 60 1HE TRP 60 -3.418 1.399 12.969 479 HE3 TRP 60 3HE TRP 60 -5.534 2.688 8.216 480 HZ2 TRP 60 2HZ TRP 60 -2.891 4.087 12.220 481 HZ3 TRP 60 3HZ TRP 60 -4.625 4.965 8.420 482 HH2 TRP 60 HH TRP 60 -3.331 5.640 10.373 483 H LYS 61 H LYS 61 -9.841 -0.423 9.122 484 HA LYS 61 HA LYS 61 -9.620 -2.791 7.569 485 1HB LYS 61 2HB LYS 61 -12.001 -1.036 8.170 486 2HB LYS 61 1HB LYS 61 -12.096 -2.608 7.386 487 1HG LYS 61 2HG LYS 61 -11.245 -3.693 9.366 488 2HG LYS 61 1HG LYS 61 -11.005 -2.132 10.154 489 1HD LYS 61 2HD LYS 61 -13.060 -3.252 10.917 490 2HD LYS 61 1HD LYS 61 -13.395 -1.715 10.122 491 1HE LYS 61 2HE LYS 61 -13.979 -2.899 8.069 492 2HE LYS 61 1HE LYS 61 -13.618 -4.439 8.846 493 1HZ LYS 61 1HZ LYS 61 -15.411 -4.114 10.365 494 2HZ LYS 61 2HZ LYS 61 -16.010 -3.876 8.796 495 3HZ LYS 61 3HZ LYS 61 -15.695 -2.542 9.795 496 H SER 62 H SER 62 -11.065 0.330 6.784 497 HA SER 62 HA SER 62 -9.916 0.399 4.171 498 1HB SER 62 2HB SER 62 -12.170 0.412 3.009 499 2HB SER 62 1HB SER 62 -11.655 -1.161 3.619 500 HG SER 62 HG SER 62 -13.833 0.330 4.278 501 H GLU 63 H GLU 63 -12.585 1.560 6.182 502 HA GLU 63 HA GLU 63 -13.002 4.040 5.061 503 1HB GLU 63 2HB GLU 63 -13.910 4.671 7.305 504 2HB GLU 63 1HB GLU 63 -14.529 3.149 6.680 505 1HG GLU 63 2HG GLU 63 -13.032 1.913 8.119 506 2HG GLU 63 1HG GLU 63 -12.311 3.413 8.699 507 H ASN 64 H ASN 64 -10.785 3.235 7.716 508 HA ASN 64 HA ASN 64 -9.954 5.914 8.137 509 1HB ASN 64 2HB ASN 64 -9.817 3.715 9.644 510 2HB ASN 64 1HB ASN 64 -8.203 3.638 8.945 511 1HD2 ASN 64 1HD2 ASN 64 -7.288 3.990 10.981 512 2HD2 ASN 64 2HD2 ASN 64 -7.286 5.550 11.722 513 H LEU 65 H LEU 65 -9.031 3.457 5.923 514 HA LEU 65 HA LEU 65 -6.352 4.274 5.452 515 1HB LEU 65 2HB LEU 65 -8.251 2.657 3.755 516 2HB LEU 65 1HB LEU 65 -6.551 2.880 3.394 517 HG LEU 65 HG LEU 65 -7.642 1.516 5.859 518 1HD1 LEU 65 1HD1 LEU 65 -8.014 0.218 3.822 519 2HD1 LEU 65 2HD1 LEU 65 -6.789 -0.531 4.848 520 3HD1 LEU 65 3HD1 LEU 65 -6.305 0.372 3.411 521 1HD2 LEU 65 1HD2 LEU 65 -5.513 2.624 6.273 522 2HD2 LEU 65 2HD2 LEU 65 -4.817 1.839 4.857 523 3HD2 LEU 65 3HD2 LEU 65 -5.312 0.872 6.247 524 H PHE 66 H PHE 66 -9.372 4.835 3.587 525 HA PHE 66 HA PHE 66 -7.964 6.570 1.778 526 1HB PHE 66 2HB PHE 66 -10.167 7.058 0.771 527 2HB PHE 66 1HB PHE 66 -9.840 5.338 0.885 528 HD1 PHE 66 2HD PHE 66 -11.705 8.105 2.514 529 HD2 PHE 66 1HD PHE 66 -11.356 3.911 1.905 530 HE1 PHE 66 2HE PHE 66 -13.897 7.769 3.586 531 HE2 PHE 66 1HE PHE 66 -13.542 3.567 2.971 532 HZ PHE 66 HZ PHE 66 -14.818 5.495 3.812 533 H LYS 67 H LYS 67 -9.696 6.947 4.726 534 HA LYS 67 HA LYS 67 -10.278 9.689 4.677 535 1HB LYS 67 2HB LYS 67 -10.698 7.685 6.426 536 2HB LYS 67 1HB LYS 67 -9.321 8.437 7.206 537 1HG LYS 67 2HG LYS 67 -11.878 9.864 6.503 538 2HG LYS 67 1HG LYS 67 -11.501 9.191 8.087 539 1HD LYS 67 2HD LYS 67 -9.405 10.671 7.992 540 2HD LYS 67 1HD LYS 67 -10.227 11.512 6.675 541 1HE LYS 67 2HE LYS 67 -11.229 11.152 9.499 542 2HE LYS 67 1HE LYS 67 -10.650 12.649 8.773 543 1HZ LYS 67 1HZ LYS 67 -12.517 12.631 7.264 544 2HZ LYS 67 2HZ LYS 67 -13.082 12.517 8.858 545 3HZ LYS 67 3HZ LYS 67 -13.051 11.141 7.873 546 H ALA 68 H ALA 68 -7.441 7.937 5.873 547 HA ALA 68 HA ALA 68 -5.996 10.259 6.629 548 1HB ALA 68 1HB ALA 68 -4.987 7.464 6.127 549 2HB ALA 68 2HB ALA 68 -5.610 8.081 7.658 550 3HB ALA 68 3HB ALA 68 -4.123 8.745 6.980 551 H SER 69 H SER 69 -5.859 8.155 3.769 552 HA SER 69 HA SER 69 -3.514 9.283 2.692 553 1HB SER 69 2HB SER 69 -4.363 8.220 0.528 554 2HB SER 69 1HB SER 69 -4.131 7.138 1.901 555 HG SER 69 HG SER 69 -6.223 6.836 2.049 556 H LYS 70 H LYS 70 -6.890 10.184 2.428 557 HA LYS 70 HA LYS 70 -6.668 11.984 0.270 558 1HB LYS 70 2HB LYS 70 -8.786 11.082 1.457 559 2HB LYS 70 1HB LYS 70 -8.535 12.393 2.592 560 1HG LYS 70 2HG LYS 70 -8.756 14.036 0.870 561 2HG LYS 70 1HG LYS 70 -8.811 12.790 -0.377 562 1HD LYS 70 2HD LYS 70 -10.913 11.955 0.553 563 2HD LYS 70 1HD LYS 70 -10.854 13.197 1.807 564 1HE LYS 70 2HE LYS 70 -11.036 14.941 0.163 565 2HE LYS 70 1HE LYS 70 -10.905 13.775 -1.151 566 1HZ LYS 70 1HZ LYS 70 -13.187 14.452 -0.800 567 2HZ LYS 70 2HZ LYS 70 -13.132 13.926 0.810 568 3HZ LYS 70 3HZ LYS 70 -13.000 12.802 -0.454 569 H LEU 71 H LEU 71 -6.416 12.382 3.740 570 HA LEU 71 HA LEU 71 -5.929 15.159 3.796 571 1HB LEU 71 2HB LEU 71 -5.046 13.037 5.757 572 2HB LEU 71 1HB LEU 71 -5.082 14.761 6.072 573 HG LEU 71 HG LEU 71 -7.496 13.025 5.530 574 1HD1 LEU 71 1HD1 LEU 71 -8.017 13.476 7.895 575 2HD1 LEU 71 2HD1 LEU 71 -6.456 14.279 8.066 576 3HD1 LEU 71 3HD1 LEU 71 -6.524 12.557 7.697 577 1HD2 LEU 71 1HD2 LEU 71 -8.789 15.003 6.127 578 2HD2 LEU 71 2HD2 LEU 71 -7.775 15.321 4.722 579 3HD2 LEU 71 3HD2 LEU 71 -7.304 15.935 6.306 580 H LEU 72 H LEU 72 -3.830 12.402 3.337 581 HA LEU 72 HA LEU 72 -1.375 13.723 3.825 582 1HB LEU 72 2HB LEU 72 -2.038 11.194 2.335 583 2HB LEU 72 1HB LEU 72 -0.397 11.760 2.567 584 HG LEU 72 HG LEU 72 -2.310 11.067 4.797 585 1HD1 LEU 72 1HD1 LEU 72 -1.644 9.098 3.522 586 2HD1 LEU 72 2HD1 LEU 72 -0.893 9.104 5.119 587 3HD1 LEU 72 3HD1 LEU 72 0.050 9.550 3.697 588 1HD2 LEU 72 1HD2 LEU 72 -0.702 12.759 5.462 589 2HD2 LEU 72 2HD2 LEU 72 0.620 11.790 4.812 590 3HD2 LEU 72 3HD2 LEU 72 -0.295 11.214 6.208 591 H ARG 73 H ARG 73 -3.508 14.224 1.327 592 HA ARG 73 HA ARG 73 -1.812 14.438 -0.910 593 1HB ARG 73 2HB ARG 73 -4.298 14.446 -0.999 594 2HB ARG 73 1HB ARG 73 -4.296 16.062 -0.310 595 1HG ARG 73 2HG ARG 73 -2.761 15.568 -2.814 596 2HG ARG 73 1HG ARG 73 -4.519 15.677 -2.896 597 1HD ARG 73 2HD ARG 73 -2.708 17.771 -1.696 598 2HD ARG 73 1HD ARG 73 -3.385 17.835 -3.324 599 HE ARG 73 HE ARG 73 -5.621 17.702 -2.057 600 1HH1 ARG 73 1HH1 ARG 73 -2.759 19.399 -0.947 601 2HH1 ARG 73 2HH1 ARG 73 -3.657 20.521 0.035 602 1HH2 ARG 73 1HH2 ARG 73 -6.795 19.175 -0.804 603 2HH2 ARG 73 2HH2 ARG 73 -5.968 20.399 0.111 604 H SER 74 H SER 74 -2.483 16.617 1.760 605 HA SER 74 HA SER 74 -1.206 18.906 0.693 606 1HB SER 74 2HB SER 74 -1.524 18.144 3.606 607 2HB SER 74 1HB SER 74 -1.276 19.766 2.958 608 HG SER 74 HG SER 74 -3.404 19.740 3.106 609 H ASN 75 H ASN 75 -0.060 16.084 2.431 610 HA ASN 75 HA ASN 75 2.585 17.052 2.871 611 1HB ASN 75 2HB ASN 75 1.326 14.305 2.976 612 2HB ASN 75 1HB ASN 75 3.014 14.599 3.342 613 1HD2 ASN 75 1HD2 ASN 75 2.729 13.843 5.462 614 2HD2 ASN 75 2HD2 ASN 75 1.918 14.799 6.660 615 H ASN 76 H ASN 76 1.124 14.717 0.625 616 HA ASN 76 HA ASN 76 2.866 15.622 -1.495 617 1HB ASN 76 2HB ASN 76 4.185 13.817 -0.337 618 2HB ASN 76 1HB ASN 76 2.897 12.688 -0.741 619 1HD2 ASN 76 1HD2 ASN 76 5.713 12.736 -1.521 620 2HD2 ASN 76 2HD2 ASN 76 5.739 12.741 -3.254 621 H THR 77 H THR 77 1.711 15.685 -3.312 622 HA THR 77 HA THR 77 -1.043 15.039 -3.198 623 HB THR 77 HB THR 77 -0.145 16.982 -4.445 624 HG1 THR 77 1HG THR 77 -1.496 16.658 -6.326 625 1HG2 THR 77 1HG2 THR 77 0.824 16.654 -6.676 626 2HG2 THR 77 2HG2 THR 77 0.826 14.910 -6.417 627 3HG2 THR 77 3HG2 THR 77 1.840 15.953 -5.419 628 H GLU 78 H GLU 78 1.737 13.289 -4.351 629 HA GLU 78 HA GLU 78 0.366 11.665 -6.228 630 1HB GLU 78 2HB GLU 78 2.982 11.237 -4.797 631 2HB GLU 78 1HB GLU 78 2.384 10.233 -6.100 632 1HG GLU 78 2HG GLU 78 2.304 12.378 -7.481 633 2HG GLU 78 1HG GLU 78 3.305 13.073 -6.206 634 H ILE 79 H ILE 79 0.726 11.541 -2.786 635 HA ILE 79 HA ILE 79 0.590 8.797 -2.325 636 HB ILE 79 HB ILE 79 -0.478 11.008 -0.561 637 1HG1 ILE 79 2HG1 ILE 79 2.184 9.559 -0.571 638 2HG1 ILE 79 1HG1 ILE 79 1.921 11.217 -1.098 639 1HG2 ILE 79 1HG2 ILE 79 0.185 8.136 0.097 640 2HG2 ILE 79 2HG2 ILE 79 -1.429 8.844 0.044 641 3HG2 ILE 79 3HG2 ILE 79 -0.273 9.378 1.263 642 1HD1 ILE 79 1HD1 ILE 79 1.497 10.187 1.698 643 2HD1 ILE 79 2HD1 ILE 79 1.303 11.855 1.160 644 3HD1 ILE 79 3HD1 ILE 79 2.897 11.101 1.137 645 HA PRO 80 HA PRO 80 -4.234 9.058 -1.892 646 1HB PRO 80 2HB PRO 80 -5.431 11.201 -3.130 647 2HB PRO 80 1HB PRO 80 -5.062 11.125 -1.404 648 1HG PRO 80 2HG PRO 80 -3.530 12.442 -3.611 649 2HG PRO 80 1HG PRO 80 -3.874 13.036 -1.975 650 1HD PRO 80 2HD PRO 80 -1.489 11.995 -2.613 651 2HD PRO 80 1HD PRO 80 -2.220 11.736 -1.017 652 H ILE 81 H ILE 81 -2.670 10.400 -4.743 653 HA ILE 81 HA ILE 81 -4.552 9.371 -6.623 654 HB ILE 81 HB ILE 81 -1.685 10.241 -7.080 655 1HG1 ILE 81 2HG1 ILE 81 -4.280 11.776 -7.406 656 2HG1 ILE 81 1HG1 ILE 81 -3.102 12.021 -6.120 657 1HG2 ILE 81 1HG2 ILE 81 -2.359 10.499 -9.416 658 2HG2 ILE 81 2HG2 ILE 81 -3.954 9.860 -9.029 659 3HG2 ILE 81 3HG2 ILE 81 -2.530 8.829 -8.879 660 1HD1 ILE 81 1HD1 ILE 81 -2.911 13.720 -7.844 661 2HD1 ILE 81 2HD1 ILE 81 -2.626 12.472 -9.057 662 3HD1 ILE 81 3HD1 ILE 81 -1.453 12.731 -7.766 663 H LEU 82 H LEU 82 -1.361 8.287 -5.484 664 HA LEU 82 HA LEU 82 -1.312 5.957 -7.112 665 1HB LEU 82 2HB LEU 82 0.135 6.559 -4.531 666 2HB LEU 82 1HB LEU 82 0.498 5.216 -5.598 667 HG LEU 82 HG LEU 82 0.764 8.138 -6.321 668 1HD1 LEU 82 1HD1 LEU 82 3.174 7.706 -6.277 669 2HD1 LEU 82 2HD1 LEU 82 2.866 6.072 -5.685 670 3HD1 LEU 82 3HD1 LEU 82 2.434 7.465 -4.695 671 1HD2 LEU 82 1HD2 LEU 82 1.891 7.302 -8.331 672 2HD2 LEU 82 2HD2 LEU 82 0.213 6.767 -8.248 673 3HD2 LEU 82 3HD2 LEU 82 1.515 5.648 -7.844 674 H TRP 83 H TRP 83 -2.466 6.633 -3.853 675 HA TRP 83 HA TRP 83 -3.141 3.989 -3.132 676 1HB TRP 83 2HB TRP 83 -3.072 5.762 -1.472 677 2HB TRP 83 1HB TRP 83 -4.373 6.624 -2.290 678 HD1 TRP 83 HD TRP 83 -6.645 6.302 -1.165 679 HE1 TRP 83 1HE TRP 83 -7.761 4.485 0.279 680 HE3 TRP 83 3HE TRP 83 -2.881 2.848 -1.145 681 HZ2 TRP 83 2HZ TRP 83 -7.122 1.921 1.294 682 HZ3 TRP 83 3HZ TRP 83 -3.214 0.749 0.071 683 HH2 TRP 83 HH TRP 83 -5.293 0.298 1.272 684 H LYS 84 H LYS 84 -4.762 6.427 -5.055 685 HA LYS 84 HA LYS 84 -7.332 5.303 -5.137 686 1HB LYS 84 2HB LYS 84 -6.655 7.603 -5.894 687 2HB LYS 84 1HB LYS 84 -5.981 6.867 -7.338 688 1HG LYS 84 2HG LYS 84 -8.136 6.139 -8.060 689 2HG LYS 84 1HG LYS 84 -8.868 6.632 -6.529 690 1HD LYS 84 2HD LYS 84 -8.257 8.962 -7.003 691 2HD LYS 84 1HD LYS 84 -7.573 8.456 -8.548 692 1HE LYS 84 2HE LYS 84 -9.735 7.733 -9.324 693 2HE LYS 84 1HE LYS 84 -10.452 8.065 -7.747 694 1HZ LYS 84 1HZ LYS 84 -10.882 9.827 -9.387 695 2HZ LYS 84 2HZ LYS 84 -9.215 10.113 -9.507 696 3HZ LYS 84 3HZ LYS 84 -10.020 10.397 -8.040 697 H SER 85 H SER 85 -4.494 4.793 -7.190 698 HA SER 85 HA SER 85 -5.624 2.986 -9.010 699 1HB SER 85 2HB SER 85 -2.793 2.973 -7.933 700 2HB SER 85 1HB SER 85 -3.338 2.265 -9.452 701 HG SER 85 HG SER 85 -2.319 4.488 -9.402 702 H ALA 86 H ALA 86 -3.962 2.411 -5.931 703 HA ALA 86 HA ALA 86 -4.224 -0.397 -5.936 704 1HB ALA 86 1HB ALA 86 -3.657 -0.265 -3.564 705 2HB ALA 86 2HB ALA 86 -3.942 1.476 -3.586 706 3HB ALA 86 3HB ALA 86 -2.617 0.787 -4.523 707 H TRP 87 H TRP 87 -6.199 2.159 -4.517 708 HA TRP 87 HA TRP 87 -8.075 0.607 -3.168 709 1HB TRP 87 2HB TRP 87 -7.801 3.091 -3.011 710 2HB TRP 87 1HB TRP 87 -8.577 3.239 -4.577 711 HD1 TRP 87 HD TRP 87 -11.035 3.774 -4.444 712 HE1 TRP 87 1HE TRP 87 -12.922 3.472 -2.718 713 HE3 TRP 87 3HE TRP 87 -8.440 1.199 -0.879 714 HZ2 TRP 87 2HZ TRP 87 -13.253 2.283 -0.171 715 HZ3 TRP 87 3HZ TRP 87 -9.611 0.514 1.174 716 HH2 TRP 87 HH TRP 87 -11.969 1.048 1.519 717 H THR 88 H THR 88 -7.783 1.388 -6.557 718 HA THR 88 HA THR 88 -10.327 0.625 -7.454 719 HB THR 88 HB THR 88 -7.688 0.365 -8.921 720 HG1 THR 88 1HG THR 88 -8.203 2.519 -8.163 721 1HG2 THR 88 1HG2 THR 88 -9.049 0.514 -10.954 722 2HG2 THR 88 2HG2 THR 88 -10.515 0.532 -9.973 723 3HG2 THR 88 3HG2 THR 88 -9.486 -0.900 -9.995 724 H LEU 89 H LEU 89 -7.468 -1.260 -6.649 725 HA LEU 89 HA LEU 89 -8.382 -3.725 -7.747 726 1HB LEU 89 2HB LEU 89 -6.387 -3.233 -5.533 727 2HB LEU 89 1HB LEU 89 -6.617 -4.752 -6.373 728 HG LEU 89 HG LEU 89 -5.599 -2.195 -7.612 729 1HD1 LEU 89 1HD1 LEU 89 -3.984 -3.206 -6.110 730 2HD1 LEU 89 2HD1 LEU 89 -3.484 -3.426 -7.786 731 3HD1 LEU 89 3HD1 LEU 89 -4.203 -4.768 -6.898 732 1HD2 LEU 89 1HD2 LEU 89 -5.947 -4.953 -8.783 733 2HD2 LEU 89 2HD2 LEU 89 -5.147 -3.593 -9.574 734 3HD2 LEU 89 3HD2 LEU 89 -6.872 -3.513 -9.211 735 H HIS 90 H HIS 90 -8.908 -2.051 -4.752 736 HA HIS 90 HA HIS 90 -9.895 -4.372 -3.357 737 1HB HIS 90 2HB HIS 90 -8.789 -2.234 -2.359 738 2HB HIS 90 1HB HIS 90 -10.402 -1.543 -2.485 739 HD1 HIS 90 1HD HIS 90 -11.857 -1.901 -0.495 740 HD2 HIS 90 2HD HIS 90 -8.831 -4.746 -0.759 741 HE1 HIS 90 1HE HIS 90 -12.010 -3.261 1.615 742 HE2 HIS 90 2HE HIS 90 -10.085 -4.880 1.498 743 H VAL 91 H VAL 91 -11.281 -1.461 -4.816 744 HA VAL 91 HA VAL 91 -13.975 -2.196 -4.205 745 HB VAL 91 HB VAL 91 -12.934 -0.161 -6.181 746 1HG1 VAL 91 1HG1 VAL 91 -15.701 -0.506 -5.021 747 2HG1 VAL 91 2HG1 VAL 91 -15.231 -0.819 -6.691 748 3HG1 VAL 91 3HG1 VAL 91 -15.175 0.824 -6.054 749 1HG2 VAL 91 1HG2 VAL 91 -12.234 0.302 -3.889 750 2HG2 VAL 91 2HG2 VAL 91 -13.905 0.169 -3.345 751 3HG2 VAL 91 3HG2 VAL 91 -13.435 1.476 -4.432 752 H GLU 92 H GLU 92 -12.082 -2.183 -7.242 753 HA GLU 92 HA GLU 92 -14.302 -3.624 -8.514 754 1HB GLU 92 2HB GLU 92 -12.059 -1.977 -9.668 755 2HB GLU 92 1HB GLU 92 -13.157 -2.934 -10.650 756 1HG GLU 92 2HG GLU 92 -15.045 -1.641 -9.820 757 2HG GLU 92 1HG GLU 92 -13.954 -0.694 -8.811 758 H GLY 93 H GLY 93 -12.148 -4.841 -6.822 759 1HA GLY 93 2HA GLY 93 -10.694 -6.519 -8.669 760 2HA GLY 93 1HA GLY 93 -10.782 -6.722 -6.921 761 H PHE 94 H PHE 94 -12.616 -7.728 -6.009 762 HA PHE 94 HA PHE 94 -14.307 -9.222 -5.820 763 1HB PHE 94 2HB PHE 94 -15.337 -7.355 -7.248 764 2HB PHE 94 1HB PHE 94 -15.153 -8.453 -8.606 765 HD1 PHE 94 1HD PHE 94 -16.354 -8.787 -5.084 766 HD2 PHE 94 2HD PHE 94 -17.131 -9.431 -9.217 767 HE1 PHE 94 1HE PHE 94 -18.505 -9.836 -4.512 768 HE2 PHE 94 2HE PHE 94 -19.284 -10.480 -8.654 769 HZ PHE 94 HZ PHE 94 -19.972 -10.685 -6.299 770 H HIS 95 H HIS 95 -11.751 -9.888 -7.398 771 HA HIS 95 HA HIS 95 -10.791 -11.732 -8.302 772 1HB HIS 95 2HB HIS 95 -12.086 -12.952 -6.585 773 2HB HIS 95 1HB HIS 95 -13.441 -13.071 -7.697 774 HD1 HIS 95 1HD HIS 95 -13.562 -15.195 -8.963 775 HD2 HIS 95 2HD HIS 95 -9.691 -14.364 -7.685 776 HE1 HIS 95 1HE HIS 95 -12.183 -17.191 -9.625 777 HE2 HIS 95 2HE HIS 95 -9.821 -16.621 -8.946 778 H GLU 96 H GLU 96 -13.041 -9.968 -9.718 779 HA GLU 96 HA GLU 96 -13.624 -11.691 -11.995 780 1HB GLU 96 2HB GLU 96 -14.596 -8.983 -11.119 781 2HB GLU 96 1HB GLU 96 -14.926 -9.595 -12.735 782 1HG GLU 96 2HG GLU 96 -15.659 -11.060 -10.216 783 2HG GLU 96 1HG GLU 96 -16.744 -9.960 -11.067 784 H LEU 97 H LEU 97 -11.960 -8.652 -11.292 785 HA LEU 97 HA LEU 97 -11.179 -8.323 -14.039 786 1HB LEU 97 2HB LEU 97 -10.721 -6.783 -11.523 787 2HB LEU 97 1HB LEU 97 -9.674 -6.492 -12.898 788 HG LEU 97 HG LEU 97 -11.469 -4.861 -12.839 789 1HD1 LEU 97 1HD1 LEU 97 -10.625 -5.567 -15.016 790 2HD1 LEU 97 2HD1 LEU 97 -12.335 -5.145 -15.093 791 3HD1 LEU 97 3HD1 LEU 97 -11.845 -6.839 -15.080 792 1HD2 LEU 97 1HD2 LEU 97 -13.805 -5.524 -13.158 793 2HD2 LEU 97 2HD2 LEU 97 -13.147 -6.151 -11.646 794 3HD2 LEU 97 3HD2 LEU 97 -13.334 -7.222 -13.035 795 H SER 98 H SER 98 -10.019 -10.115 -14.535 796 HA SER 98 HA SER 98 -7.556 -10.695 -13.126 797 1HB SER 98 2HB SER 98 -8.739 -11.979 -15.609 798 2HB SER 98 1HB SER 98 -7.317 -12.550 -14.733 799 HG SER 98 HG SER 98 -9.862 -12.252 -13.518 800 H LEU 99 H LEU 99 -7.048 -8.446 -13.613 801 HA LEU 99 HA LEU 99 -6.499 -7.242 -15.988 802 1HB LEU 99 2HB LEU 99 -4.674 -7.123 -13.588 803 2HB LEU 99 1HB LEU 99 -4.848 -5.902 -14.836 804 HG LEU 99 HG LEU 99 -6.951 -6.681 -12.810 805 1HD1 LEU 99 1HD1 LEU 99 -6.572 -4.448 -11.908 806 2HD1 LEU 99 2HD1 LEU 99 -5.284 -4.186 -13.083 807 3HD1 LEU 99 3HD1 LEU 99 -5.106 -5.426 -11.842 808 1HD2 LEU 99 1HD2 LEU 99 -7.000 -4.549 -14.944 809 2HD2 LEU 99 2HD2 LEU 99 -8.226 -4.799 -13.702 810 3HD2 LEU 99 3HD2 LEU 99 -7.956 -6.030 -14.934 811 H ASN 100 H ASN 100 -4.900 -7.199 -17.493 812 HA ASN 100 HA ASN 100 -3.314 -9.518 -17.887 813 1HB ASN 100 2HB ASN 100 -3.227 -6.798 -19.195 814 2HB ASN 100 1HB ASN 100 -2.202 -8.138 -19.687 815 1HD2 ASN 100 1HD2 ASN 100 -5.449 -6.896 -19.586 816 2HD2 ASN 100 2HD2 ASN 100 -6.109 -7.998 -20.750 817 H GLU 101 H GLU 101 -0.963 -9.490 -18.156 818 HA GLU 101 HA GLU 101 0.219 -8.897 -15.685 819 1HB GLU 101 2HB GLU 101 0.856 -10.695 -17.347 820 2HB GLU 101 1HB GLU 101 1.676 -9.448 -18.268 821 1HG GLU 101 2HG GLU 101 2.368 -9.810 -15.397 822 2HG GLU 101 1HG GLU 101 2.979 -10.957 -16.588 823 H LYS 102 H LYS 102 0.419 -7.232 -18.815 824 HA LYS 102 HA LYS 102 2.295 -5.297 -18.148 825 1HB LYS 102 2HB LYS 102 1.331 -5.733 -20.426 826 2HB LYS 102 1HB LYS 102 -0.118 -4.878 -19.917 827 1HG LYS 102 2HG LYS 102 1.260 -2.909 -19.439 828 2HG LYS 102 1HG LYS 102 2.660 -3.756 -20.085 829 1HD LYS 102 2HD LYS 102 1.532 -3.938 -22.258 830 2HD LYS 102 1HD LYS 102 0.145 -3.059 -21.601 831 1HE LYS 102 2HE LYS 102 1.609 -1.139 -21.134 832 2HE LYS 102 1HE LYS 102 2.967 -2.013 -21.840 833 1HZ LYS 102 1HZ LYS 102 2.036 -0.484 -23.428 834 2HZ LYS 102 2HZ LYS 102 0.497 -1.174 -23.260 835 3HZ LYS 102 3HZ LYS 102 1.760 -2.073 -23.950 836 H GLU 103 H GLU 103 -1.198 -5.345 -17.686 837 HA GLU 103 HA GLU 103 -1.328 -2.714 -16.590 838 1HB GLU 103 2HB GLU 103 -3.263 -3.786 -17.674 839 2HB GLU 103 1HB GLU 103 -3.328 -4.974 -16.384 840 1HG GLU 103 2HG GLU 103 -4.122 -3.461 -14.841 841 2HG GLU 103 1HG GLU 103 -3.492 -2.072 -15.724 842 H VAL 104 H VAL 104 -0.831 -5.909 -15.286 843 HA VAL 104 HA VAL 104 -1.079 -5.292 -12.550 844 HB VAL 104 HB VAL 104 0.707 -7.320 -13.917 845 1HG1 VAL 104 1HG1 VAL 104 0.898 -8.416 -11.748 846 2HG1 VAL 104 2HG1 VAL 104 -0.029 -7.115 -10.998 847 3HG1 VAL 104 3HG1 VAL 104 1.561 -6.782 -11.686 848 1HG2 VAL 104 1HG2 VAL 104 -1.706 -7.637 -14.266 849 2HG2 VAL 104 2HG2 VAL 104 -1.946 -7.654 -12.517 850 3HG2 VAL 104 3HG2 VAL 104 -1.002 -8.926 -13.292 851 H LYS 105 H LYS 105 1.569 -4.877 -14.850 852 HA LYS 105 HA LYS 105 3.585 -4.105 -13.081 853 1HB LYS 105 2HB LYS 105 3.045 -3.301 -15.929 854 2HB LYS 105 1HB LYS 105 4.423 -2.676 -15.037 855 1HG LYS 105 2HG LYS 105 5.072 -5.093 -14.631 856 2HG LYS 105 1HG LYS 105 3.862 -5.508 -15.848 857 1HD LYS 105 2HD LYS 105 4.994 -4.132 -17.492 858 2HD LYS 105 1HD LYS 105 6.159 -3.599 -16.280 859 1HE LYS 105 2HE LYS 105 7.192 -5.283 -17.624 860 2HE LYS 105 1HE LYS 105 6.880 -5.970 -16.030 861 1HZ LYS 105 1HZ LYS 105 6.312 -7.440 -17.936 862 2HZ LYS 105 2HZ LYS 105 5.086 -6.349 -18.362 863 3HZ LYS 105 3HZ LYS 105 5.021 -7.159 -16.872 864 H LYS 106 H LYS 106 0.886 -2.251 -14.387 865 HA LYS 106 HA LYS 106 1.651 0.329 -13.694 866 1HB LYS 106 2HB LYS 106 -1.089 -0.939 -13.621 867 2HB LYS 106 1HB LYS 106 -0.808 0.781 -13.406 868 1HG LYS 106 2HG LYS 106 0.145 0.902 -15.657 869 2HG LYS 106 1HG LYS 106 -0.161 -0.826 -15.869 870 1HD LYS 106 2HD LYS 106 -1.929 0.528 -16.897 871 2HD LYS 106 1HD LYS 106 -2.552 -0.452 -15.570 872 1HE LYS 106 2HE LYS 106 -2.359 1.534 -14.087 873 2HE LYS 106 1HE LYS 106 -1.881 2.491 -15.487 874 1HZ LYS 106 1HZ LYS 106 -4.485 1.119 -15.072 875 2HZ LYS 106 2HZ LYS 106 -4.027 1.875 -16.515 876 3HZ LYS 106 3HZ LYS 106 -4.207 2.791 -15.104 877 H LEU 107 H LEU 107 -0.306 -1.921 -11.759 878 HA LEU 107 HA LEU 107 -0.236 -0.327 -9.421 879 1HB LEU 107 2HB LEU 107 -0.964 -3.185 -9.975 880 2HB LEU 107 1HB LEU 107 -0.873 -2.597 -8.327 881 HG LEU 107 HG LEU 107 -3.161 -2.535 -9.040 882 1HD1 LEU 107 1HD1 LEU 107 -2.392 -0.717 -7.611 883 2HD1 LEU 107 2HD1 LEU 107 -3.681 -0.187 -8.687 884 3HD1 LEU 107 3HD1 LEU 107 -2.009 0.247 -9.036 885 1HD2 LEU 107 1HD2 LEU 107 -3.919 -1.201 -10.937 886 2HD2 LEU 107 2HD2 LEU 107 -2.816 -2.477 -11.458 887 3HD2 LEU 107 3HD2 LEU 107 -2.246 -0.811 -11.340 888 H LYS 108 H LYS 108 1.777 -2.931 -10.640 889 HA LYS 108 HA LYS 108 3.331 -3.418 -8.378 890 1HB LYS 108 2HB LYS 108 3.526 -4.865 -10.272 891 2HB LYS 108 1HB LYS 108 4.011 -3.538 -11.319 892 1HG LYS 108 2HG LYS 108 6.130 -3.364 -10.223 893 2HG LYS 108 1HG LYS 108 5.636 -4.522 -8.986 894 1HD LYS 108 2HD LYS 108 5.818 -5.179 -11.920 895 2HD LYS 108 1HD LYS 108 7.127 -5.460 -10.771 896 1HE LYS 108 2HE LYS 108 4.353 -6.635 -10.596 897 2HE LYS 108 1HE LYS 108 5.790 -7.481 -11.167 898 1HZ LYS 108 1HZ LYS 108 5.227 -7.947 -8.816 899 2HZ LYS 108 2HZ LYS 108 5.520 -6.326 -8.448 900 3HZ LYS 108 3HZ LYS 108 6.777 -7.304 -9.010 901 H GLU 109 H GLU 109 3.648 -0.925 -10.871 902 HA GLU 109 HA GLU 109 6.038 0.216 -9.832 903 1HB GLU 109 2HB GLU 109 3.895 1.421 -11.588 904 2HB GLU 109 1HB GLU 109 5.457 2.157 -11.263 905 1HG GLU 109 2HG GLU 109 6.567 0.250 -12.321 906 2HG GLU 109 1HG GLU 109 4.991 -0.462 -12.666 907 H ASP 110 H ASP 110 2.611 1.108 -9.563 908 HA ASP 110 HA ASP 110 2.958 3.420 -8.028 909 1HB ASP 110 2HB ASP 110 0.643 1.523 -8.337 910 2HB ASP 110 1HB ASP 110 0.545 2.916 -7.270 911 H VAL 111 H VAL 111 2.293 0.087 -6.964 912 HA VAL 111 HA VAL 111 2.364 0.676 -4.201 913 HB VAL 111 HB VAL 111 2.924 -1.945 -5.606 914 1HG1 VAL 111 1HG1 VAL 111 2.322 -1.396 -2.701 915 2HG1 VAL 111 2HG1 VAL 111 3.854 -1.971 -3.361 916 3HG1 VAL 111 3HG1 VAL 111 2.419 -2.994 -3.441 917 1HG2 VAL 111 1HG2 VAL 111 0.691 -1.070 -6.056 918 2HG2 VAL 111 2HG2 VAL 111 0.405 -0.887 -4.325 919 3HG2 VAL 111 3HG2 VAL 111 0.611 -2.495 -5.021 920 H ARG 112 H ARG 112 4.858 -0.196 -6.531 921 HA ARG 112 HA ARG 112 6.951 -0.648 -4.702 922 1HB ARG 112 2HB ARG 112 7.075 -1.298 -7.069 923 2HB ARG 112 1HB ARG 112 7.090 0.395 -7.540 924 1HG ARG 112 2HG ARG 112 9.251 0.726 -6.681 925 2HG ARG 112 1HG ARG 112 9.210 -0.782 -5.768 926 1HD ARG 112 2HD ARG 112 10.616 -0.973 -7.760 927 2HD ARG 112 1HD ARG 112 9.234 -2.061 -7.831 928 HE ARG 112 HE ARG 112 9.109 0.524 -9.217 929 1HH1 ARG 112 1HH1 ARG 112 9.164 -2.985 -9.335 930 2HH1 ARG 112 2HH1 ARG 112 8.723 -3.055 -11.016 931 1HH2 ARG 112 1HH2 ARG 112 8.527 0.422 -11.438 932 2HH2 ARG 112 2HH2 ARG 112 8.354 -1.131 -12.206 933 H LYS 113 H LYS 113 5.719 2.291 -6.212 934 HA LYS 113 HA LYS 113 7.658 4.086 -5.267 935 1HB LYS 113 2HB LYS 113 4.767 4.380 -6.031 936 2HB LYS 113 1HB LYS 113 5.685 5.744 -5.415 937 1HG LYS 113 2HG LYS 113 7.268 5.536 -7.239 938 2HG LYS 113 1HG LYS 113 6.404 4.117 -7.837 939 1HD LYS 113 2HD LYS 113 4.513 5.390 -8.425 940 2HD LYS 113 1HD LYS 113 5.061 6.783 -7.489 941 1HE LYS 113 2HE LYS 113 6.439 5.691 -9.938 942 2HE LYS 113 1HE LYS 113 5.350 7.077 -9.927 943 1HZ LYS 113 1HZ LYS 113 7.906 6.889 -8.414 944 2HZ LYS 113 2HZ LYS 113 6.861 8.227 -8.441 945 3HZ LYS 113 3HZ LYS 113 7.672 7.754 -9.853 946 H LEU 114 H LEU 114 4.604 2.982 -3.834 947 HA LEU 114 HA LEU 114 4.678 4.554 -1.523 948 1HB LEU 114 2HB LEU 114 3.305 2.084 -2.412 949 2HB LEU 114 1HB LEU 114 3.366 2.363 -0.691 950 HG LEU 114 HG LEU 114 2.241 4.523 -0.994 951 1HD1 LEU 114 1HD1 LEU 114 3.058 5.040 -3.239 952 2HD1 LEU 114 2HD1 LEU 114 1.300 5.139 -3.145 953 3HD1 LEU 114 3HD1 LEU 114 2.066 3.738 -3.896 954 1HD2 LEU 114 1HD2 LEU 114 0.918 2.523 -0.568 955 2HD2 LEU 114 2HD2 LEU 114 0.815 2.215 -2.301 956 3HD2 LEU 114 3HD2 LEU 114 0.052 3.648 -1.613 957 H VAL 115 H VAL 115 5.944 1.318 -2.200 958 HA VAL 115 HA VAL 115 6.827 0.793 0.430 959 HB VAL 115 HB VAL 115 7.885 -0.367 -2.155 960 1HG1 VAL 115 1HG1 VAL 115 8.678 -2.225 -0.781 961 2HG1 VAL 115 2HG1 VAL 115 8.100 -1.404 0.669 962 3HG1 VAL 115 3HG1 VAL 115 9.414 -0.704 -0.275 963 1HG2 VAL 115 1HG2 VAL 115 5.498 -0.745 -1.932 964 2HG2 VAL 115 2HG2 VAL 115 5.729 -1.363 -0.297 965 3HG2 VAL 115 3HG2 VAL 115 6.376 -2.253 -1.675 966 H ILE 116 H ILE 116 8.639 1.874 -2.446 967 HA ILE 116 HA ILE 116 11.111 2.176 -1.174 968 HB ILE 116 HB ILE 116 9.989 3.729 -3.513 969 1HG1 ILE 116 2HG1 ILE 116 11.869 1.357 -3.414 970 2HG1 ILE 116 1HG1 ILE 116 10.161 1.280 -3.836 971 1HG2 ILE 116 1HG2 ILE 116 12.313 4.306 -4.046 972 2HG2 ILE 116 2HG2 ILE 116 12.848 3.525 -2.559 973 3HG2 ILE 116 3HG2 ILE 116 11.829 4.963 -2.482 974 1HD1 ILE 116 1HD1 ILE 116 10.586 2.686 -5.788 975 2HD1 ILE 116 2HD1 ILE 116 11.560 1.217 -5.815 976 3HD1 ILE 116 3HD1 ILE 116 12.297 2.754 -5.364 977 H PHE 117 H PHE 117 8.284 4.221 -1.211 978 HA PHE 117 HA PHE 117 9.534 6.627 -0.398 979 1HB PHE 117 2HB PHE 117 7.199 6.341 -1.380 980 2HB PHE 117 1HB PHE 117 6.690 5.842 0.230 981 HD1 PHE 117 1HD PHE 117 7.845 8.628 -1.835 982 HD2 PHE 117 2HD PHE 117 6.516 7.442 2.028 983 HE1 PHE 117 1HE PHE 117 7.515 10.989 -1.228 984 HE2 PHE 117 2HE PHE 117 6.184 9.802 2.641 985 HZ PHE 117 HZ PHE 117 6.684 11.577 1.013 986 H ALA 118 H ALA 118 7.847 4.083 1.438 987 HA ALA 118 HA ALA 118 8.282 5.326 3.975 988 1HB ALA 118 1HB ALA 118 7.511 3.193 4.908 989 2HB ALA 118 2HB ALA 118 7.611 2.453 3.310 990 3HB ALA 118 3HB ALA 118 6.453 3.751 3.610 991 H VAL 119 H VAL 119 9.908 2.664 2.238 992 HA VAL 119 HA VAL 119 11.682 2.022 4.341 993 HB VAL 119 HB VAL 119 12.154 1.573 1.385 994 1HG1 VAL 119 1HG1 VAL 119 13.493 -0.339 2.160 995 2HG1 VAL 119 2HG1 VAL 119 13.221 0.159 3.828 996 3HG1 VAL 119 3HG1 VAL 119 14.140 1.197 2.736 997 1HG2 VAL 119 1HG2 VAL 119 11.108 -0.608 1.715 998 2HG2 VAL 119 2HG2 VAL 119 9.975 0.698 2.070 999 3HG2 VAL 119 3HG2 VAL 119 10.745 -0.187 3.389 1000 H ASN 120 H ASN 120 11.878 4.333 1.680 1001 HA ASN 120 HA ASN 120 14.581 5.114 2.132 1002 1HB ASN 120 2HB ASN 120 13.233 5.587 0.047 1003 2HB ASN 120 1HB ASN 120 12.360 6.807 0.958 1004 1HD2 ASN 120 1HD2 ASN 120 15.311 5.963 -0.608 1005 2HD2 ASN 120 2HD2 ASN 120 16.040 7.533 -0.558 1006 H SER 121 H SER 121 11.492 6.072 3.447 1007 HA SER 121 HA SER 121 12.365 8.366 4.849 1008 1HB SER 121 2HB SER 121 9.978 6.541 5.183 1009 2HB SER 121 1HB SER 121 10.187 8.041 6.069 1010 HG SER 121 HG SER 121 9.751 7.643 3.314 1011 H LEU 122 H LEU 122 12.202 4.932 5.635 1012 HA LEU 122 HA LEU 122 12.818 5.317 8.411 1013 1HB LEU 122 2HB LEU 122 12.389 2.993 6.627 1014 2HB LEU 122 1HB LEU 122 13.357 2.718 8.061 1015 HG LEU 122 HG LEU 122 11.496 3.550 9.461 1016 1HD1 LEU 122 1HD1 LEU 122 9.947 3.615 6.877 1017 2HD1 LEU 122 2HD1 LEU 122 10.431 5.019 7.827 1018 3HD1 LEU 122 3HD1 LEU 122 9.284 3.858 8.494 1019 1HD2 LEU 122 1HD2 LEU 122 10.030 1.616 9.155 1020 2HD2 LEU 122 2HD2 LEU 122 11.733 1.169 9.063 1021 3HD2 LEU 122 3HD2 LEU 122 10.774 1.303 7.589 1022 H GLU 123 H GLU 123 14.691 5.635 5.716 1023 HA GLU 123 HA GLU 123 17.120 4.503 6.747 1024 1HB GLU 123 2HB GLU 123 16.513 6.263 4.402 1025 2HB GLU 123 1HB GLU 123 18.163 5.853 4.862 1026 1HG GLU 123 2HG GLU 123 15.979 3.927 4.117 1027 2HG GLU 123 1HG GLU 123 17.382 4.361 3.157 1028 H HIS 124 H HIS 124 15.409 6.956 7.884 1029 HA HIS 124 HA HIS 124 17.178 9.092 8.177 1030 1HB HIS 124 2HB HIS 124 15.887 9.724 10.171 1031 2HB HIS 124 1HB HIS 124 14.830 9.276 8.842 1032 HD1 HIS 124 1HD HIS 124 15.644 8.459 12.346 1033 HD2 HIS 124 2HD HIS 124 13.502 6.748 9.210 1034 HE1 HIS 124 1HE HIS 124 14.178 6.703 13.396 1035 HE2 HIS 124 2HE HIS 124 12.785 5.780 11.505 1036 H HIS 125 H HIS 125 18.896 9.498 9.431 1037 HA HIS 125 HA HIS 125 20.597 9.220 10.917 1038 1HB HIS 125 2HB HIS 125 18.944 8.669 12.623 1039 2HB HIS 125 1HB HIS 125 18.876 7.006 12.061 1040 HD1 HIS 125 1HD HIS 125 20.185 5.445 13.433 1041 HD2 HIS 125 2HD HIS 125 21.735 9.301 13.599 1042 HE1 HIS 125 1HE HIS 125 22.097 5.339 15.066 1043 HE2 HIS 125 2HE HIS 125 22.877 7.725 15.301 1044 H HIS 126 H HIS 126 19.632 6.993 8.636 1045 HA HIS 126 HA HIS 126 22.119 5.445 8.945 1046 1HB HIS 126 2HB HIS 126 20.004 4.120 8.877 1047 2HB HIS 126 1HB HIS 126 19.706 4.736 7.254 1048 HD1 HIS 126 1HD HIS 126 20.419 3.153 5.476 1049 HD2 HIS 126 2HD HIS 126 22.716 2.770 8.930 1050 HE1 HIS 126 1HE HIS 126 22.100 1.340 4.989 1051 HE2 HIS 126 2HE HIS 126 23.565 1.234 7.040 1052 H HIS 127 H HIS 127 20.827 7.984 7.266 1053 HA HIS 127 HA HIS 127 21.570 9.250 5.532 1054 1HB HIS 127 2HB HIS 127 23.778 7.190 5.367 1055 2HB HIS 127 1HB HIS 127 23.677 8.588 4.308 1056 HD1 HIS 127 1HD HIS 127 24.972 10.538 5.061 1057 HD2 HIS 127 2HD HIS 127 23.948 8.052 8.231 1058 HE1 HIS 127 1HE HIS 127 26.105 11.513 7.081 1059 HE2 HIS 127 2HE HIS 127 25.632 9.888 8.942 1060 H HIS 128 H HIS 128 20.453 9.374 3.705 1061 HA HIS 128 HA HIS 128 19.986 6.879 2.209 1062 1HB HIS 128 2HB HIS 128 17.938 7.797 1.378 1063 2HB HIS 128 1HB HIS 128 17.955 8.062 3.116 1064 HD1 HIS 128 1HD HIS 128 17.817 10.472 3.937 1065 HD2 HIS 128 2HD HIS 128 18.263 10.164 -0.191 1066 HE1 HIS 128 1HE HIS 128 17.423 12.785 3.032 1067 HE2 HIS 128 2HE HIS 128 17.514 12.534 0.525 1068 H HIS 129 H HIS 129 20.270 6.840 -0.016 1069 HA HIS 129 HA HIS 129 21.377 9.243 -1.279 1070 1HB HIS 129 2HB HIS 129 22.558 6.460 -1.433 1071 2HB HIS 129 1HB HIS 129 23.010 7.782 -2.504 1072 HD1 HIS 129 1HD HIS 129 23.617 6.384 0.852 1073 HD2 HIS 129 2HD HIS 129 24.444 9.894 -1.222 1074 HE1 HIS 129 1HE HIS 129 25.390 7.566 2.194 1075 HE2 HIS 129 2HE HIS 129 25.777 9.749 0.987 Start of MODEL 8 1 1H MET 1 1HT MET 1 21.747 -2.581 12.144 2 2H MET 1 2HT MET 1 21.030 -2.125 10.677 3 3H MET 1 3HT MET 1 21.780 -3.638 10.819 4 HA MET 1 HA MET 1 20.148 -4.325 12.450 5 1HB MET 1 2HB MET 1 19.006 -1.596 11.841 6 2HB MET 1 1HB MET 1 18.038 -2.887 12.532 7 1HG MET 1 2HG MET 1 18.760 -1.439 14.282 8 2HG MET 1 1HG MET 1 19.598 -2.980 14.445 9 1HE MET 1 1HE MET 1 20.480 -0.257 15.923 10 2HE MET 1 2HE MET 1 22.232 -0.378 15.739 11 3HE MET 1 3HE MET 1 21.284 -1.811 16.130 12 H SER 2 H SER 2 19.060 -5.879 11.476 13 HA SER 2 HA SER 2 18.192 -5.477 8.705 14 1HB SER 2 2HB SER 2 18.266 -8.041 10.322 15 2HB SER 2 1HB SER 2 18.054 -7.893 8.576 16 HG SER 2 HG SER 2 20.344 -6.843 9.847 17 H ILE 3 H ILE 3 16.150 -4.867 8.397 18 HA ILE 3 HA ILE 3 14.225 -5.270 10.581 19 HB ILE 3 HB ILE 3 12.921 -3.465 9.594 20 1HG1 ILE 3 2HG1 ILE 3 15.106 -3.407 7.505 21 2HG1 ILE 3 1HG1 ILE 3 13.424 -3.846 7.245 22 1HG2 ILE 3 1HG2 ILE 3 15.836 -2.777 9.934 23 2HG2 ILE 3 2HG2 ILE 3 14.615 -2.858 11.205 24 3HG2 ILE 3 3HG2 ILE 3 14.510 -1.615 9.960 25 1HD1 ILE 3 1HD1 ILE 3 14.420 -1.124 8.049 26 2HD1 ILE 3 2HD1 ILE 3 12.738 -1.571 7.756 27 3HD1 ILE 3 3HD1 ILE 3 13.904 -1.605 6.432 28 H SER 4 H SER 4 11.916 -5.435 9.811 29 HA SER 4 HA SER 4 11.523 -6.774 7.278 30 1HB SER 4 2HB SER 4 10.872 -8.212 9.867 31 2HB SER 4 1HB SER 4 10.561 -8.806 8.236 32 HG SER 4 HG SER 4 13.134 -8.152 8.397 33 H THR 5 H THR 5 10.152 -5.115 6.763 34 HA THR 5 HA THR 5 7.820 -4.628 8.449 35 HB THR 5 HB THR 5 7.218 -2.940 6.718 36 HG1 THR 5 1HG THR 5 9.708 -3.755 5.548 37 1HG2 THR 5 1HG2 THR 5 8.567 -2.265 8.635 38 2HG2 THR 5 2HG2 THR 5 9.061 -1.381 7.189 39 3HG2 THR 5 3HG2 THR 5 10.038 -2.725 7.776 40 H SER 6 H SER 6 5.650 -4.932 7.676 41 HA SER 6 HA SER 6 5.261 -7.364 6.286 42 1HB SER 6 2HB SER 6 3.177 -5.206 6.677 43 2HB SER 6 1HB SER 6 2.920 -6.947 6.529 44 HG SER 6 HG SER 6 3.828 -5.439 8.701 45 H ALA 7 H ALA 7 5.394 -4.038 5.288 46 HA ALA 7 HA ALA 7 4.120 -4.188 2.807 47 1HB ALA 7 1HB ALA 7 4.726 -2.081 3.908 48 2HB ALA 7 2HB ALA 7 5.313 -2.148 2.246 49 3HB ALA 7 3HB ALA 7 6.428 -2.410 3.586 50 H GLU 8 H GLU 8 7.582 -4.572 3.603 51 HA GLU 8 HA GLU 8 8.322 -5.095 0.908 52 1HB GLU 8 2HB GLU 8 10.508 -5.650 1.782 53 2HB GLU 8 1HB GLU 8 9.898 -4.214 2.590 54 1HG GLU 8 2HG GLU 8 9.171 -5.722 4.470 55 2HG GLU 8 1HG GLU 8 10.085 -7.005 3.680 56 H VAL 9 H VAL 9 7.244 -7.094 3.547 57 HA VAL 9 HA VAL 9 7.993 -9.602 2.444 58 HB VAL 9 HB VAL 9 5.817 -8.925 4.434 59 1HG1 VAL 9 1HG1 VAL 9 6.951 -11.612 3.663 60 2HG1 VAL 9 2HG1 VAL 9 5.318 -11.034 3.333 61 3HG1 VAL 9 3HG1 VAL 9 5.834 -11.317 4.996 62 1HG2 VAL 9 1HG2 VAL 9 7.396 -9.745 6.099 63 2HG2 VAL 9 2HG2 VAL 9 8.089 -8.400 5.192 64 3HG2 VAL 9 3HG2 VAL 9 8.585 -10.055 4.835 65 H TYR 10 H TYR 10 4.882 -7.841 2.486 66 HA TYR 10 HA TYR 10 3.529 -9.701 0.857 67 1HB TYR 10 2HB TYR 10 2.984 -6.800 1.465 68 2HB TYR 10 1HB TYR 10 1.931 -7.763 0.433 69 HD1 TYR 10 2HD TYR 10 1.481 -10.224 1.616 70 HD2 TYR 10 1HD TYR 10 2.187 -6.536 3.610 71 HE1 TYR 10 2HE TYR 10 0.313 -11.082 3.604 72 HE2 TYR 10 1HE TYR 10 1.026 -7.384 5.602 73 HH TYR 10 HH TYR 10 0.358 -10.610 6.101 74 H TYR 11 H TYR 11 5.411 -6.826 0.089 75 HA TYR 11 HA TYR 11 4.902 -6.778 -2.676 76 1HB TYR 11 2HB TYR 11 5.960 -4.895 -1.586 77 2HB TYR 11 1HB TYR 11 7.322 -5.894 -1.095 78 HD1 TYR 11 1HD TYR 11 5.554 -4.855 -4.226 79 HD2 TYR 11 2HD TYR 11 9.263 -5.749 -2.340 80 HE1 TYR 11 1HE TYR 11 6.747 -4.245 -6.289 81 HE2 TYR 11 2HE TYR 11 10.461 -5.139 -4.397 82 HH TYR 11 HH TYR 11 10.157 -4.850 -6.679 83 H GLU 12 H GLU 12 7.263 -8.548 -0.737 84 HA GLU 12 HA GLU 12 8.706 -9.628 -2.924 85 1HB GLU 12 2HB GLU 12 9.557 -9.507 -0.587 86 2HB GLU 12 1HB GLU 12 8.411 -10.764 -0.135 87 1HG GLU 12 2HG GLU 12 9.500 -12.344 -1.567 88 2HG GLU 12 1HG GLU 12 10.559 -11.092 -2.213 89 H GLU 13 H GLU 13 5.917 -10.755 -1.066 90 HA GLU 13 HA GLU 13 5.751 -13.274 -2.367 91 1HB GLU 13 2HB GLU 13 3.579 -11.703 -0.976 92 2HB GLU 13 1HB GLU 13 3.475 -13.393 -1.446 93 1HG GLU 13 2HG GLU 13 5.524 -13.754 0.016 94 2HG GLU 13 1HG GLU 13 5.195 -12.146 0.663 95 H ALA 14 H ALA 14 4.425 -10.080 -3.024 96 HA ALA 14 HA ALA 14 2.800 -10.748 -5.216 97 1HB ALA 14 1HB ALA 14 3.093 -8.415 -5.919 98 2HB ALA 14 2HB ALA 14 4.400 -8.229 -4.750 99 3HB ALA 14 3HB ALA 14 2.755 -8.534 -4.192 100 H GLU 15 H GLU 15 6.249 -9.943 -5.010 101 HA GLU 15 HA GLU 15 6.925 -10.296 -7.710 102 1HB GLU 15 2HB GLU 15 8.514 -10.774 -5.180 103 2HB GLU 15 1HB GLU 15 9.214 -10.878 -6.787 104 1HG GLU 15 2HG GLU 15 7.871 -8.407 -5.725 105 2HG GLU 15 1HG GLU 15 9.600 -8.724 -5.576 106 H GLU 16 H GLU 16 6.830 -12.587 -5.009 107 HA GLU 16 HA GLU 16 7.847 -14.836 -6.239 108 1HB GLU 16 2HB GLU 16 7.044 -14.204 -3.780 109 2HB GLU 16 1HB GLU 16 5.642 -15.125 -4.291 110 1HG GLU 16 2HG GLU 16 8.420 -16.207 -4.496 111 2HG GLU 16 1HG GLU 16 7.453 -16.335 -3.033 112 H PHE 17 H PHE 17 4.427 -13.958 -5.844 113 HA PHE 17 HA PHE 17 3.534 -16.216 -7.325 114 1HB PHE 17 2HB PHE 17 2.097 -13.721 -6.434 115 2HB PHE 17 1HB PHE 17 1.302 -15.024 -7.307 116 HD1 PHE 17 1HD PHE 17 1.762 -17.428 -6.234 117 HD2 PHE 17 2HD PHE 17 1.918 -13.720 -4.153 118 HE1 PHE 17 1HE PHE 17 1.358 -18.604 -4.109 119 HE2 PHE 17 2HE PHE 17 1.521 -14.888 -2.030 120 HZ PHE 17 HZ PHE 17 1.241 -17.330 -2.002 121 H LEU 18 H LEU 18 4.206 -12.872 -8.165 122 HA LEU 18 HA LEU 18 3.006 -12.890 -10.721 123 1HB LEU 18 2HB LEU 18 4.271 -11.019 -9.191 124 2HB LEU 18 1HB LEU 18 5.477 -11.316 -10.426 125 HG LEU 18 HG LEU 18 4.078 -9.403 -11.006 126 1HD1 LEU 18 1HD1 LEU 18 4.973 -10.748 -12.826 127 2HD1 LEU 18 2HD1 LEU 18 3.398 -10.077 -13.247 128 3HD1 LEU 18 3HD1 LEU 18 3.539 -11.774 -12.786 129 1HD2 LEU 18 1HD2 LEU 18 1.789 -11.362 -10.961 130 2HD2 LEU 18 2HD2 LEU 18 1.702 -9.684 -11.501 131 3HD2 LEU 18 3HD2 LEU 18 2.059 -10.052 -9.813 132 H SER 19 H SER 19 6.125 -13.933 -9.529 133 HA SER 19 HA SER 19 7.204 -14.458 -12.149 134 1HB SER 19 2HB SER 19 8.211 -15.407 -9.455 135 2HB SER 19 1HB SER 19 9.125 -15.343 -10.964 136 HG SER 19 HG SER 19 8.128 -13.162 -9.434 137 H LYS 20 H LYS 20 5.540 -16.182 -9.641 138 HA LYS 20 HA LYS 20 6.015 -18.813 -10.579 139 1HB LYS 20 2HB LYS 20 5.346 -18.265 -8.273 140 2HB LYS 20 1HB LYS 20 3.781 -17.735 -8.860 141 1HG LYS 20 2HG LYS 20 3.152 -19.934 -9.459 142 2HG LYS 20 1HG LYS 20 4.798 -20.536 -9.234 143 1HD LYS 20 2HD LYS 20 3.111 -19.361 -7.030 144 2HD LYS 20 1HD LYS 20 3.239 -21.091 -7.362 145 1HE LYS 20 2HE LYS 20 5.532 -21.131 -6.819 146 2HE LYS 20 1HE LYS 20 5.657 -19.373 -6.867 147 1HZ LYS 20 1HZ LYS 20 5.547 -20.542 -4.603 148 2HZ LYS 20 2HZ LYS 20 3.883 -20.689 -4.910 149 3HZ LYS 20 3HZ LYS 20 4.609 -19.154 -4.843 150 H GLY 21 H GLY 21 3.365 -16.501 -11.066 151 1HA GLY 21 2HA GLY 21 2.588 -16.709 -13.507 152 2HA GLY 21 1HA GLY 21 2.216 -18.363 -13.046 153 H ASP 22 H ASP 22 1.689 -16.382 -10.425 154 HA ASP 22 HA ASP 22 -1.184 -16.398 -10.942 155 1HB ASP 22 2HB ASP 22 -0.701 -17.455 -8.874 156 2HB ASP 22 1HB ASP 22 0.421 -16.182 -8.398 157 H LEU 23 H LEU 23 -2.386 -14.606 -10.960 158 HA LEU 23 HA LEU 23 -1.016 -12.032 -10.629 159 1HB LEU 23 2HB LEU 23 -3.399 -12.696 -12.360 160 2HB LEU 23 1HB LEU 23 -2.676 -11.111 -12.195 161 HG LEU 23 HG LEU 23 -1.291 -13.521 -13.370 162 1HD1 LEU 23 1HD1 LEU 23 -3.127 -12.738 -14.777 163 2HD1 LEU 23 2HD1 LEU 23 -1.563 -12.375 -15.507 164 3HD1 LEU 23 3HD1 LEU 23 -2.482 -11.097 -14.712 165 1HD2 LEU 23 1HD2 LEU 23 -0.471 -10.621 -13.253 166 2HD2 LEU 23 2HD2 LEU 23 0.410 -11.917 -14.065 167 3HD2 LEU 23 3HD2 LEU 23 0.238 -11.931 -12.309 168 H VAL 24 H VAL 24 -3.492 -14.068 -9.475 169 HA VAL 24 HA VAL 24 -5.322 -11.984 -8.704 170 HB VAL 24 HB VAL 24 -5.316 -14.889 -7.867 171 1HG1 VAL 24 1HG1 VAL 24 -7.693 -14.519 -7.406 172 2HG1 VAL 24 2HG1 VAL 24 -7.509 -12.816 -7.831 173 3HG1 VAL 24 3HG1 VAL 24 -6.672 -13.471 -6.422 174 1HG2 VAL 24 1HG2 VAL 24 -6.748 -13.547 -10.161 175 2HG2 VAL 24 2HG2 VAL 24 -6.965 -15.221 -9.652 176 3HG2 VAL 24 3HG2 VAL 24 -5.411 -14.688 -10.296 177 H GLN 25 H GLN 25 -3.394 -14.367 -6.850 178 HA GLN 25 HA GLN 25 -3.872 -12.986 -4.390 179 1HB GLN 25 2HB GLN 25 -1.967 -15.220 -5.094 180 2HB GLN 25 1HB GLN 25 -2.172 -14.584 -3.466 181 1HG GLN 25 2HG GLN 25 -4.607 -15.154 -3.663 182 2HG GLN 25 1HG GLN 25 -4.214 -15.992 -5.160 183 1HE2 GLN 25 1HE2 GLN 25 -5.290 -16.966 -2.608 184 2HE2 GLN 25 2HE2 GLN 25 -4.211 -18.225 -2.102 185 H ALA 26 H ALA 26 -1.287 -13.105 -6.762 186 HA ALA 26 HA ALA 26 0.673 -11.635 -5.437 187 1HB ALA 26 1HB ALA 26 -0.053 -11.543 -8.366 188 2HB ALA 26 2HB ALA 26 1.044 -12.696 -7.605 189 3HB ALA 26 3HB ALA 26 1.465 -10.984 -7.667 190 H CYS 27 H CYS 27 -2.154 -10.541 -7.250 191 HA CYS 27 HA CYS 27 -1.641 -7.781 -7.131 192 1HB CYS 27 2HB CYS 27 -3.322 -8.840 -8.628 193 2HB CYS 27 1HB CYS 27 -4.332 -9.163 -7.223 194 HG CYS 27 HG CYS 27 -5.301 -6.762 -6.895 195 H GLU 28 H GLU 28 -3.490 -9.919 -4.988 196 HA GLU 28 HA GLU 28 -4.383 -7.894 -3.231 197 1HB GLU 28 2HB GLU 28 -5.277 -10.280 -3.483 198 2HB GLU 28 1HB GLU 28 -3.926 -10.778 -2.472 199 1HG GLU 28 2HG GLU 28 -5.798 -10.550 -1.053 200 2HG GLU 28 1HG GLU 28 -4.751 -9.166 -0.743 201 H LYS 29 H LYS 29 -1.471 -9.826 -3.394 202 HA LYS 29 HA LYS 29 -0.483 -9.281 -0.816 203 1HB LYS 29 2HB LYS 29 0.586 -10.412 -3.302 204 2HB LYS 29 1HB LYS 29 1.787 -9.609 -2.303 205 1HG LYS 29 2HG LYS 29 1.634 -12.015 -1.842 206 2HG LYS 29 1HG LYS 29 1.252 -11.034 -0.429 207 1HD LYS 29 2HD LYS 29 -1.063 -11.470 -0.634 208 2HD LYS 29 1HD LYS 29 -0.867 -12.138 -2.255 209 1HE LYS 29 2HE LYS 29 -1.220 -13.930 -0.681 210 2HE LYS 29 1HE LYS 29 0.428 -14.006 -1.300 211 1HZ LYS 29 1HZ LYS 29 1.184 -12.924 0.755 212 2HZ LYS 29 2HZ LYS 29 0.398 -14.392 1.058 213 3HZ LYS 29 3HZ LYS 29 -0.410 -12.931 1.345 214 H TYR 30 H TYR 30 0.304 -7.644 -3.944 215 HA TYR 30 HA TYR 30 1.902 -5.733 -2.529 216 1HB TYR 30 2HB TYR 30 2.201 -4.549 -4.625 217 2HB TYR 30 1HB TYR 30 2.467 -6.267 -4.843 218 HD1 TYR 30 2HD TYR 30 -0.177 -3.667 -5.288 219 HD2 TYR 30 1HD TYR 30 1.495 -7.333 -6.641 220 HE1 TYR 30 2HE TYR 30 -1.677 -3.626 -7.232 221 HE2 TYR 30 1HE TYR 30 0.004 -7.300 -8.593 222 HH TYR 30 HH TYR 30 -2.314 -6.219 -9.128 223 H TYR 31 H TYR 31 -1.437 -5.967 -3.288 224 HA TYR 31 HA TYR 31 -2.182 -3.284 -2.898 225 1HB TYR 31 2HB TYR 31 -3.868 -4.730 -3.702 226 2HB TYR 31 1HB TYR 31 -3.589 -5.909 -2.426 227 HD1 TYR 31 2HD TYR 31 -4.982 -2.538 -3.118 228 HD2 TYR 31 1HD TYR 31 -4.772 -5.804 -0.397 229 HE1 TYR 31 2HE TYR 31 -6.810 -1.557 -1.798 230 HE2 TYR 31 1HE TYR 31 -6.596 -4.830 0.927 231 HH TYR 31 HH TYR 31 -7.612 -2.629 1.321 232 H LYS 32 H LYS 32 -1.798 -5.968 -0.595 233 HA LYS 32 HA LYS 32 -2.312 -4.333 1.674 234 1HB LYS 32 2HB LYS 32 -1.137 -7.085 1.374 235 2HB LYS 32 1HB LYS 32 -1.269 -6.290 2.941 236 1HG LYS 32 2HG LYS 32 -3.742 -5.946 2.297 237 2HG LYS 32 1HG LYS 32 -3.438 -7.212 1.107 238 1HD LYS 32 2HD LYS 32 -3.072 -8.825 2.723 239 2HD LYS 32 1HD LYS 32 -2.654 -7.633 3.959 240 1HE LYS 32 2HE LYS 32 -5.406 -8.092 2.805 241 2HE LYS 32 1HE LYS 32 -4.845 -8.638 4.387 242 1HZ LYS 32 1HZ LYS 32 -6.151 -6.563 4.475 243 2HZ LYS 32 2HZ LYS 32 -4.962 -5.784 3.547 244 3HZ LYS 32 3HZ LYS 32 -4.578 -6.376 5.089 245 H ALA 33 H ALA 33 0.572 -5.157 -0.110 246 HA ALA 33 HA ALA 33 2.484 -4.140 1.672 247 1HB ALA 33 1HB ALA 33 3.105 -5.372 -0.336 248 2HB ALA 33 2HB ALA 33 3.890 -3.792 -0.311 249 3HB ALA 33 3HB ALA 33 2.488 -4.065 -1.346 250 H ALA 34 H ALA 34 0.260 -2.571 -0.531 251 HA ALA 34 HA ALA 34 1.433 0.032 -0.294 252 1HB ALA 34 1HB ALA 34 0.160 -0.648 -2.282 253 2HB ALA 34 2HB ALA 34 -0.500 0.810 -1.538 254 3HB ALA 34 3HB ALA 34 -1.302 -0.743 -1.300 255 H GLU 35 H GLU 35 -1.392 -1.596 1.152 256 HA GLU 35 HA GLU 35 -2.296 0.700 2.546 257 1HB GLU 35 2HB GLU 35 -3.735 -0.796 3.809 258 2HB GLU 35 1HB GLU 35 -3.757 -1.238 2.109 259 1HG GLU 35 2HG GLU 35 -2.386 -3.136 2.501 260 2HG GLU 35 1HG GLU 35 -2.045 -2.622 4.152 261 H GLU 36 H GLU 36 -0.083 -1.916 3.396 262 HA GLU 36 HA GLU 36 0.280 -1.267 6.101 263 1HB GLU 36 2HB GLU 36 0.937 -3.394 5.062 264 2HB GLU 36 1HB GLU 36 2.152 -2.557 4.112 265 1HG GLU 36 2HG GLU 36 3.221 -3.641 5.899 266 2HG GLU 36 1HG GLU 36 3.271 -1.911 6.209 267 H ALA 37 H ALA 37 1.823 -0.161 3.128 268 HA ALA 37 HA ALA 37 3.886 1.373 4.229 269 1HB ALA 37 1HB ALA 37 3.699 0.857 1.837 270 2HB ALA 37 2HB ALA 37 3.876 2.590 2.111 271 3HB ALA 37 3HB ALA 37 2.293 1.917 1.718 272 H ILE 38 H ILE 38 0.525 2.249 3.477 273 HA ILE 38 HA ILE 38 0.628 4.931 4.283 274 HB ILE 38 HB ILE 38 -1.721 3.036 4.537 275 1HG1 ILE 38 2HG1 ILE 38 -0.866 3.070 2.250 276 2HG1 ILE 38 1HG1 ILE 38 -2.407 3.924 2.334 277 1HG2 ILE 38 1HG2 ILE 38 -2.062 5.058 5.820 278 2HG2 ILE 38 2HG2 ILE 38 -3.088 5.076 4.385 279 3HG2 ILE 38 3HG2 ILE 38 -1.617 6.046 4.428 280 1HD1 ILE 38 1HD1 ILE 38 0.311 5.229 2.292 281 2HD1 ILE 38 2HD1 ILE 38 -1.246 6.054 2.283 282 3HD1 ILE 38 3HD1 ILE 38 -0.767 5.061 0.907 283 H LYS 39 H LYS 39 -0.114 1.992 6.092 284 HA LYS 39 HA LYS 39 -0.645 3.044 8.605 285 1HB LYS 39 2HB LYS 39 -1.008 0.703 8.022 286 2HB LYS 39 1HB LYS 39 0.715 0.449 7.824 287 1HG LYS 39 2HG LYS 39 -0.413 1.287 10.467 288 2HG LYS 39 1HG LYS 39 -0.450 -0.402 9.958 289 1HD LYS 39 2HD LYS 39 2.068 -0.096 9.504 290 2HD LYS 39 1HD LYS 39 1.920 1.358 10.492 291 1HE LYS 39 2HE LYS 39 1.288 -1.465 11.324 292 2HE LYS 39 1HE LYS 39 2.660 -0.498 11.851 293 1HZ LYS 39 1HZ LYS 39 -0.167 -0.299 12.625 294 2HZ LYS 39 2HZ LYS 39 0.782 1.102 12.646 295 3HZ LYS 39 3HZ LYS 39 1.229 -0.228 13.590 296 H LEU 40 H LEU 40 2.497 1.971 7.287 297 HA LEU 40 HA LEU 40 4.117 2.679 9.407 298 1HB LEU 40 2HB LEU 40 4.479 2.262 6.512 299 2HB LEU 40 1HB LEU 40 5.748 3.159 7.308 300 HG LEU 40 HG LEU 40 5.844 1.236 8.960 301 1HD1 LEU 40 1HD1 LEU 40 4.285 -0.134 6.795 302 2HD1 LEU 40 2HD1 LEU 40 3.735 0.190 8.439 303 3HD1 LEU 40 3HD1 LEU 40 5.069 -0.930 8.160 304 1HD2 LEU 40 1HD2 LEU 40 7.274 -0.099 7.494 305 2HD2 LEU 40 2HD2 LEU 40 7.563 1.629 7.292 306 3HD2 LEU 40 3HD2 LEU 40 6.613 0.747 6.093 307 H LEU 41 H LEU 41 3.314 4.684 6.562 308 HA LEU 41 HA LEU 41 4.841 6.915 7.234 309 1HB LEU 41 2HB LEU 41 2.471 6.438 5.520 310 2HB LEU 41 1HB LEU 41 2.832 8.102 5.927 311 HG LEU 41 HG LEU 41 5.073 7.858 4.937 312 1HD1 LEU 41 1HD1 LEU 41 5.436 5.495 5.313 313 2HD1 LEU 41 2HD1 LEU 41 5.608 5.881 3.600 314 3HD1 LEU 41 3HD1 LEU 41 4.140 5.097 4.186 315 1HD2 LEU 41 1HD2 LEU 41 3.257 8.692 3.575 316 2HD2 LEU 41 2HD2 LEU 41 2.796 7.046 3.141 317 3HD2 LEU 41 3HD2 LEU 41 4.342 7.702 2.601 318 H VAL 42 H VAL 42 1.494 6.160 8.098 319 HA VAL 42 HA VAL 42 0.854 8.636 9.255 320 HB VAL 42 HB VAL 42 -0.277 5.891 9.788 321 1HG1 VAL 42 1HG1 VAL 42 -0.750 7.259 11.715 322 2HG1 VAL 42 2HG1 VAL 42 -2.224 7.072 10.763 323 3HG1 VAL 42 3HG1 VAL 42 -1.308 8.576 10.687 324 1HG2 VAL 42 1HG2 VAL 42 -1.263 8.187 8.097 325 2HG2 VAL 42 2HG2 VAL 42 -2.131 6.678 8.377 326 3HG2 VAL 42 3HG2 VAL 42 -0.594 6.665 7.511 327 H ILE 43 H ILE 43 2.365 5.757 10.645 328 HA ILE 43 HA ILE 43 2.135 6.522 13.349 329 HB ILE 43 HB ILE 43 4.202 4.747 12.052 330 1HG1 ILE 43 2HG1 ILE 43 1.860 4.066 11.631 331 2HG1 ILE 43 1HG1 ILE 43 2.721 2.910 12.632 332 1HG2 ILE 43 1HG2 ILE 43 4.903 5.450 14.268 333 2HG2 ILE 43 2HG2 ILE 43 4.440 3.748 14.285 334 3HG2 ILE 43 3HG2 ILE 43 3.345 4.967 14.938 335 1HD1 ILE 43 1HD1 ILE 43 0.781 4.988 13.617 336 2HD1 ILE 43 2HD1 ILE 43 1.616 3.797 14.616 337 3HD1 ILE 43 3HD1 ILE 43 0.441 3.270 13.410 338 H GLU 44 H GLU 44 4.879 6.857 11.074 339 HA GLU 44 HA GLU 44 6.569 8.068 12.988 340 1HB GLU 44 2HB GLU 44 7.119 6.814 10.781 341 2HB GLU 44 1HB GLU 44 6.913 8.392 10.030 342 1HG GLU 44 2HG GLU 44 8.562 8.690 12.312 343 2HG GLU 44 1HG GLU 44 9.165 7.343 11.352 344 H ASN 45 H ASN 45 4.609 9.374 10.326 345 HA ASN 45 HA ASN 45 5.513 12.063 10.803 346 1HB ASN 45 2HB ASN 45 3.365 10.950 8.993 347 2HB ASN 45 1HB ASN 45 3.799 12.652 9.067 348 1HD2 ASN 45 1HD2 ASN 45 4.807 9.475 8.094 349 2HD2 ASN 45 2HD2 ASN 45 6.147 9.977 7.122 350 H ASN 46 H ASN 46 3.077 10.058 12.041 351 HA ASN 46 HA ASN 46 1.585 10.311 13.710 352 1HB ASN 46 2HB ASN 46 3.372 11.531 14.862 353 2HB ASN 46 1HB ASN 46 2.850 13.027 14.094 354 1HD2 ASN 46 1HD2 ASN 46 2.468 14.001 16.087 355 2HD2 ASN 46 2HD2 ASN 46 1.107 13.579 17.076 356 H LEU 47 H LEU 47 -0.185 10.247 12.319 357 HA LEU 47 HA LEU 47 -1.515 12.829 11.938 358 1HB LEU 47 2HB LEU 47 -2.164 10.125 10.774 359 2HB LEU 47 1HB LEU 47 -3.070 11.587 10.484 360 HG LEU 47 HG LEU 47 -0.212 11.103 9.647 361 1HD1 LEU 47 1HD1 LEU 47 -1.118 11.142 7.370 362 2HD1 LEU 47 2HD1 LEU 47 -2.750 11.274 8.027 363 3HD1 LEU 47 3HD1 LEU 47 -1.796 9.821 8.321 364 1HD2 LEU 47 1HD2 LEU 47 -0.429 13.231 8.450 365 2HD2 LEU 47 2HD2 LEU 47 -0.591 13.443 10.193 366 3HD2 LEU 47 3HD2 LEU 47 -2.024 13.466 9.164 367 H LYS 48 H LYS 48 -2.428 13.286 13.822 368 HA LYS 48 HA LYS 48 -3.152 11.428 15.787 369 1HB LYS 48 2HB LYS 48 -2.553 13.835 16.137 370 2HB LYS 48 1HB LYS 48 -4.137 14.269 15.511 371 1HG LYS 48 2HG LYS 48 -5.174 12.987 17.347 372 2HG LYS 48 1HG LYS 48 -3.564 12.680 18.002 373 1HD LYS 48 2HD LYS 48 -4.813 15.396 17.581 374 2HD LYS 48 1HD LYS 48 -4.658 14.565 19.130 375 1HE LYS 48 2HE LYS 48 -2.244 14.650 18.971 376 2HE LYS 48 1HE LYS 48 -2.348 15.367 17.364 377 1HZ LYS 48 1HZ LYS 48 -3.276 16.605 19.902 378 2HZ LYS 48 2HZ LYS 48 -3.463 17.290 18.363 379 3HZ LYS 48 3HZ LYS 48 -1.911 17.060 19.003 380 H GLU 49 H GLU 49 -5.136 13.193 13.431 381 HA GLU 49 HA GLU 49 -7.661 12.491 14.385 382 1HB GLU 49 2HB GLU 49 -6.761 14.027 12.363 383 2HB GLU 49 1HB GLU 49 -7.288 12.627 11.443 384 1HG GLU 49 2HG GLU 49 -9.170 13.744 13.439 385 2HG GLU 49 1HG GLU 49 -8.880 14.673 11.972 386 H ILE 50 H ILE 50 -5.479 10.762 12.234 387 HA ILE 50 HA ILE 50 -7.329 8.657 11.647 388 HB ILE 50 HB ILE 50 -4.361 8.933 11.179 389 1HG1 ILE 50 2HG1 ILE 50 -5.176 8.797 8.757 390 2HG1 ILE 50 1HG1 ILE 50 -6.798 9.015 9.401 391 1HG2 ILE 50 1HG2 ILE 50 -4.453 6.859 9.876 392 2HG2 ILE 50 2HG2 ILE 50 -6.119 6.612 10.399 393 3HG2 ILE 50 3HG2 ILE 50 -4.809 6.580 11.581 394 1HD1 ILE 50 1HD1 ILE 50 -4.506 10.939 9.683 395 2HD1 ILE 50 2HD1 ILE 50 -6.123 11.164 10.348 396 3HD1 ILE 50 3HD1 ILE 50 -5.887 11.109 8.599 397 H THR 51 H THR 51 -4.500 8.980 13.793 398 HA THR 51 HA THR 51 -4.514 6.283 14.643 399 HB THR 51 HB THR 51 -3.110 7.143 16.559 400 HG1 THR 51 1HG THR 51 -2.399 9.382 16.197 401 1HG2 THR 51 1HG2 THR 51 -2.311 7.908 13.747 402 2HG2 THR 51 2HG2 THR 51 -2.082 6.334 14.510 403 3HG2 THR 51 3HG2 THR 51 -1.200 7.740 15.107 404 H ASN 52 H ASN 52 -6.211 9.136 15.795 405 HA ASN 52 HA ASN 52 -7.098 7.978 18.234 406 1HB ASN 52 2HB ASN 52 -8.205 10.254 16.592 407 2HB ASN 52 1HB ASN 52 -8.890 9.758 18.136 408 1HD2 ASN 52 1HD2 ASN 52 -7.820 12.297 17.532 409 2HD2 ASN 52 2HD2 ASN 52 -6.457 12.548 18.567 410 H ASN 53 H ASN 53 -8.264 7.830 14.938 411 HA ASN 53 HA ASN 53 -10.771 6.638 15.577 412 1HB ASN 53 2HB ASN 53 -9.131 6.933 13.089 413 2HB ASN 53 1HB ASN 53 -10.504 5.844 13.102 414 1HD2 ASN 53 1HD2 ASN 53 -10.444 8.783 14.971 415 2HD2 ASN 53 2HD2 ASN 53 -11.614 9.638 14.029 416 H VAL 54 H VAL 54 -7.520 5.529 15.257 417 HA VAL 54 HA VAL 54 -8.174 2.737 15.058 418 HB VAL 54 HB VAL 54 -5.538 3.971 15.893 419 1HG1 VAL 54 1HG1 VAL 54 -6.216 1.272 14.728 420 2HG1 VAL 54 2HG1 VAL 54 -5.632 1.602 16.360 421 3HG1 VAL 54 3HG1 VAL 54 -4.581 1.884 14.972 422 1HG2 VAL 54 1HG2 VAL 54 -4.881 3.785 13.530 423 2HG2 VAL 54 2HG2 VAL 54 -6.216 4.914 13.762 424 3HG2 VAL 54 3HG2 VAL 54 -6.526 3.300 13.123 425 H LYS 55 H LYS 55 -8.194 5.021 17.543 426 HA LYS 55 HA LYS 55 -7.755 3.203 19.724 427 1HB LYS 55 2HB LYS 55 -8.812 6.014 19.497 428 2HB LYS 55 1HB LYS 55 -8.738 5.152 21.010 429 1HG LYS 55 2HG LYS 55 -6.294 4.954 20.759 430 2HG LYS 55 1HG LYS 55 -6.406 5.898 19.270 431 1HD LYS 55 2HD LYS 55 -7.316 7.783 20.502 432 2HD LYS 55 1HD LYS 55 -7.311 6.839 21.991 433 1HE LYS 55 2HE LYS 55 -5.411 8.290 22.021 434 2HE LYS 55 1HE LYS 55 -4.842 6.641 21.776 435 1HZ LYS 55 1HZ LYS 55 -3.727 8.257 20.335 436 2HZ LYS 55 2HZ LYS 55 -5.210 8.643 19.612 437 3HZ LYS 55 3HZ LYS 55 -4.563 7.085 19.443 438 H ASN 56 H ASN 56 -10.252 3.918 17.584 439 HA ASN 56 HA ASN 56 -12.448 3.475 19.416 440 1HB ASN 56 2HB ASN 56 -12.660 5.119 17.591 441 2HB ASN 56 1HB ASN 56 -12.448 3.832 16.411 442 1HD2 ASN 56 1HD2 ASN 56 -14.335 3.603 19.381 443 2HD2 ASN 56 2HD2 ASN 56 -15.874 3.440 18.603 444 H LYS 57 H LYS 57 -11.473 1.930 16.358 445 HA LYS 57 HA LYS 57 -12.783 -0.514 17.247 446 1HB LYS 57 2HB LYS 57 -11.966 0.501 14.529 447 2HB LYS 57 1HB LYS 57 -12.613 -1.091 14.819 448 1HG LYS 57 2HG LYS 57 -14.662 -0.016 15.752 449 2HG LYS 57 1HG LYS 57 -14.002 1.533 15.223 450 1HD LYS 57 2HD LYS 57 -15.503 0.782 13.531 451 2HD LYS 57 1HD LYS 57 -13.866 0.582 12.908 452 1HE LYS 57 2HE LYS 57 -15.127 -1.373 12.347 453 2HE LYS 57 1HE LYS 57 -13.965 -1.808 13.600 454 1HZ LYS 57 1HZ LYS 57 -16.868 -1.307 13.943 455 2HZ LYS 57 2HZ LYS 57 -15.792 -1.522 15.237 456 3HZ LYS 57 3HZ LYS 57 -16.052 -2.783 14.135 457 H GLY 58 H GLY 58 -11.726 -2.540 16.267 458 1HA GLY 58 2HA GLY 58 -8.897 -2.521 17.017 459 2HA GLY 58 1HA GLY 58 -9.904 -3.945 16.777 460 H ARG 59 H ARG 59 -10.445 -1.817 14.315 461 HA ARG 59 HA ARG 59 -8.439 -3.067 12.576 462 1HB ARG 59 2HB ARG 59 -10.808 -3.771 12.119 463 2HB ARG 59 1HB ARG 59 -11.204 -2.089 11.803 464 1HG ARG 59 2HG ARG 59 -10.905 -3.151 9.707 465 2HG ARG 59 1HG ARG 59 -9.500 -2.118 9.972 466 1HD ARG 59 2HD ARG 59 -8.719 -4.197 9.104 467 2HD ARG 59 1HD ARG 59 -8.275 -4.130 10.808 468 HE ARG 59 HE ARG 59 -10.764 -5.426 10.539 469 1HH1 ARG 59 1HH1 ARG 59 -7.339 -5.955 9.925 470 2HH1 ARG 59 2HH1 ARG 59 -7.478 -7.684 10.036 471 1HH2 ARG 59 1HH2 ARG 59 -10.929 -7.674 10.668 472 2HH2 ARG 59 2HH2 ARG 59 -9.520 -8.672 10.426 473 H TRP 60 H TRP 60 -7.459 -1.691 11.064 474 HA TRP 60 HA TRP 60 -7.043 0.941 12.045 475 1HB TRP 60 2HB TRP 60 -5.675 -0.878 10.366 476 2HB TRP 60 1HB TRP 60 -5.904 0.600 9.437 477 HD1 TRP 60 HD TRP 60 -4.388 -0.539 12.810 478 HE1 TRP 60 1HE TRP 60 -2.471 1.079 13.409 479 HE3 TRP 60 3HE TRP 60 -4.925 2.801 8.972 480 HZ2 TRP 60 2HZ TRP 60 -1.350 3.455 12.389 481 HZ3 TRP 60 3HZ TRP 60 -3.388 4.720 8.862 482 HH2 TRP 60 HH TRP 60 -1.642 5.036 10.538 483 H LYS 61 H LYS 61 -9.512 -0.118 10.333 484 HA LYS 61 HA LYS 61 -11.175 0.769 9.102 485 1HB LYS 61 2HB LYS 61 -9.877 3.235 10.200 486 2HB LYS 61 1HB LYS 61 -11.212 3.363 9.065 487 1HG LYS 61 2HG LYS 61 -12.665 2.162 10.562 488 2HG LYS 61 1HG LYS 61 -11.326 1.857 11.670 489 1HD LYS 61 2HD LYS 61 -11.176 4.123 12.286 490 2HD LYS 61 1HD LYS 61 -12.151 4.645 10.912 491 1HE LYS 61 2HE LYS 61 -13.195 2.936 13.164 492 2HE LYS 61 1HE LYS 61 -13.322 4.694 13.129 493 1HZ LYS 61 1HZ LYS 61 -14.550 4.478 11.013 494 2HZ LYS 61 2HZ LYS 61 -15.347 3.749 12.320 495 3HZ LYS 61 3HZ LYS 61 -14.525 2.789 11.190 496 H SER 62 H SER 62 -11.252 0.468 6.996 497 HA SER 62 HA SER 62 -9.264 1.138 5.137 498 1HB SER 62 2HB SER 62 -11.239 0.912 3.487 499 2HB SER 62 1HB SER 62 -10.828 -0.495 4.472 500 HG SER 62 HG SER 62 -13.097 1.071 4.480 501 H GLU 63 H GLU 63 -11.932 2.896 6.469 502 HA GLU 63 HA GLU 63 -11.977 5.087 4.699 503 1HB GLU 63 2HB GLU 63 -13.164 6.226 6.592 504 2HB GLU 63 1HB GLU 63 -13.858 4.678 6.124 505 1HG GLU 63 2HG GLU 63 -12.516 3.662 8.000 506 2HG GLU 63 1HG GLU 63 -12.178 5.309 8.524 507 H ASN 64 H ASN 64 -9.923 4.294 7.462 508 HA ASN 64 HA ASN 64 -8.907 6.946 7.798 509 1HB ASN 64 2HB ASN 64 -8.122 4.228 8.752 510 2HB ASN 64 1HB ASN 64 -6.958 5.535 8.875 511 1HD2 ASN 64 1HD2 ASN 64 -8.238 4.036 10.958 512 2HD2 ASN 64 2HD2 ASN 64 -9.085 5.182 11.938 513 H LEU 65 H LEU 65 -8.023 4.157 5.892 514 HA LEU 65 HA LEU 65 -5.520 5.075 4.980 515 1HB LEU 65 2HB LEU 65 -7.491 3.257 3.586 516 2HB LEU 65 1HB LEU 65 -5.789 3.424 3.188 517 HG LEU 65 HG LEU 65 -6.863 2.359 5.806 518 1HD1 LEU 65 1HD1 LEU 65 -6.069 0.193 5.027 519 2HD1 LEU 65 2HD1 LEU 65 -5.599 0.909 3.485 520 3HD1 LEU 65 3HD1 LEU 65 -7.301 0.842 3.944 521 1HD2 LEU 65 1HD2 LEU 65 -4.043 2.468 4.736 522 2HD2 LEU 65 2HD2 LEU 65 -4.553 1.734 6.255 523 3HD2 LEU 65 3HD2 LEU 65 -4.695 3.477 6.027 524 H PHE 66 H PHE 66 -8.810 5.517 3.799 525 HA PHE 66 HA PHE 66 -8.078 7.027 1.492 526 1HB PHE 66 2HB PHE 66 -10.244 5.909 1.608 527 2HB PHE 66 1HB PHE 66 -10.692 6.867 3.014 528 HD1 PHE 66 1HD PHE 66 -9.749 7.195 -0.569 529 HD2 PHE 66 2HD PHE 66 -11.845 8.860 2.744 530 HE1 PHE 66 1HE PHE 66 -10.720 8.906 -2.044 531 HE2 PHE 66 2HE PHE 66 -12.818 10.572 1.271 532 HZ PHE 66 HZ PHE 66 -12.254 10.596 -1.128 533 H LYS 67 H LYS 67 -9.053 7.827 4.789 534 HA LYS 67 HA LYS 67 -9.181 10.608 4.613 535 1HB LYS 67 2HB LYS 67 -9.766 9.126 6.582 536 2HB LYS 67 1HB LYS 67 -8.058 9.052 6.944 537 1HG LYS 67 2HG LYS 67 -8.009 11.486 7.224 538 2HG LYS 67 1HG LYS 67 -9.746 11.545 6.908 539 1HD LYS 67 2HD LYS 67 -8.492 9.951 9.139 540 2HD LYS 67 1HD LYS 67 -9.115 11.589 9.334 541 1HE LYS 67 2HE LYS 67 -11.337 10.816 8.633 542 2HE LYS 67 1HE LYS 67 -10.706 9.181 8.454 543 1HZ LYS 67 1HZ LYS 67 -10.333 9.024 10.771 544 2HZ LYS 67 2HZ LYS 67 -11.897 9.646 10.590 545 3HZ LYS 67 3HZ LYS 67 -10.618 10.676 11.019 546 H ALA 68 H ALA 68 -6.478 8.555 5.546 547 HA ALA 68 HA ALA 68 -4.518 10.513 5.840 548 1HB ALA 68 1HB ALA 68 -4.236 8.201 6.582 549 2HB ALA 68 2HB ALA 68 -2.892 8.718 5.564 550 3HB ALA 68 3HB ALA 68 -4.147 7.672 4.902 551 H SER 69 H SER 69 -5.393 8.659 2.933 552 HA SER 69 HA SER 69 -3.408 9.707 1.250 553 1HB SER 69 2HB SER 69 -6.155 8.669 0.516 554 2HB SER 69 1HB SER 69 -4.807 8.885 -0.601 555 HG SER 69 HG SER 69 -5.090 7.033 1.513 556 H LYS 70 H LYS 70 -6.574 10.906 2.147 557 HA LYS 70 HA LYS 70 -6.738 12.995 0.235 558 1HB LYS 70 2HB LYS 70 -8.606 12.059 1.697 559 2HB LYS 70 1HB LYS 70 -7.938 13.003 3.007 560 1HG LYS 70 2HG LYS 70 -8.684 14.339 0.441 561 2HG LYS 70 1HG LYS 70 -9.918 13.948 1.638 562 1HD LYS 70 2HD LYS 70 -8.785 15.271 3.306 563 2HD LYS 70 1HD LYS 70 -7.438 15.568 2.207 564 1HE LYS 70 2HE LYS 70 -10.274 16.429 1.665 565 2HE LYS 70 1HE LYS 70 -9.064 17.461 2.425 566 1HZ LYS 70 1HZ LYS 70 -8.750 16.229 -0.263 567 2HZ LYS 70 2HZ LYS 70 -7.730 17.377 0.462 568 3HZ LYS 70 3HZ LYS 70 -9.305 17.811 0.002 569 H LEU 71 H LEU 71 -5.715 12.890 3.605 570 HA LEU 71 HA LEU 71 -4.941 15.589 3.809 571 1HB LEU 71 2HB LEU 71 -3.923 13.192 5.332 572 2HB LEU 71 1HB LEU 71 -3.665 14.864 5.795 573 HG LEU 71 HG LEU 71 -6.337 13.452 5.671 574 1HD1 LEU 71 1HD1 LEU 71 -6.314 13.731 8.104 575 2HD1 LEU 71 2HD1 LEU 71 -4.693 14.416 8.009 576 3HD1 LEU 71 3HD1 LEU 71 -4.968 12.736 7.553 577 1HD2 LEU 71 1HD2 LEU 71 -7.254 15.492 6.627 578 2HD2 LEU 71 2HD2 LEU 71 -6.506 15.824 5.065 579 3HD2 LEU 71 3HD2 LEU 71 -5.667 16.258 6.554 580 H LEU 72 H LEU 72 -3.085 12.697 2.919 581 HA LEU 72 HA LEU 72 -0.585 14.072 2.793 582 1HB LEU 72 2HB LEU 72 -1.438 11.416 1.652 583 2HB LEU 72 1HB LEU 72 0.211 12.009 1.655 584 HG LEU 72 HG LEU 72 -1.440 11.401 4.111 585 1HD1 LEU 72 1HD1 LEU 72 0.914 9.952 2.909 586 2HD1 LEU 72 2HD1 LEU 72 -0.759 9.395 2.900 587 3HD1 LEU 72 3HD1 LEU 72 0.112 9.548 4.427 588 1HD2 LEU 72 1HD2 LEU 72 1.434 12.274 3.842 589 2HD2 LEU 72 2HD2 LEU 72 0.644 11.782 5.340 590 3HD2 LEU 72 3HD2 LEU 72 0.112 13.238 4.499 591 H ARG 73 H ARG 73 -3.244 14.021 0.723 592 HA ARG 73 HA ARG 73 -2.036 14.196 -1.811 593 1HB ARG 73 2HB ARG 73 -4.478 13.869 -1.359 594 2HB ARG 73 1HB ARG 73 -4.576 15.550 -0.867 595 1HG ARG 73 2HG ARG 73 -3.545 14.907 -3.585 596 2HG ARG 73 1HG ARG 73 -5.276 14.792 -3.270 597 1HD ARG 73 2HD ARG 73 -5.231 17.122 -2.427 598 2HD ARG 73 1HD ARG 73 -3.529 17.219 -2.880 599 HE ARG 73 HE ARG 73 -5.351 16.477 -5.013 600 1HH1 ARG 73 1HH1 ARG 73 -3.628 19.059 -3.401 601 2HH1 ARG 73 2HH1 ARG 73 -3.754 20.157 -4.741 602 1HH2 ARG 73 1HH2 ARG 73 -5.523 17.898 -6.773 603 2HH2 ARG 73 2HH2 ARG 73 -4.837 19.497 -6.669 604 H SER 74 H SER 74 -2.297 16.448 0.806 605 HA SER 74 HA SER 74 -1.777 18.833 -0.621 606 1HB SER 74 2HB SER 74 -2.669 18.752 1.702 607 2HB SER 74 1HB SER 74 -1.099 18.179 2.257 608 HG SER 74 HG SER 74 -1.074 20.506 0.747 609 H ASN 75 H ASN 75 0.265 16.284 0.632 610 HA ASN 75 HA ASN 75 2.702 17.779 0.151 611 1HB ASN 75 2HB ASN 75 2.615 16.233 2.052 612 2HB ASN 75 1HB ASN 75 2.278 14.892 0.961 613 1HD2 ASN 75 1HD2 ASN 75 4.696 17.121 2.107 614 2HD2 ASN 75 2HD2 ASN 75 6.058 16.296 1.437 615 H ASN 76 H ASN 76 1.209 14.809 -1.084 616 HA ASN 76 HA ASN 76 2.302 15.404 -3.732 617 1HB ASN 76 2HB ASN 76 3.897 13.831 -2.836 618 2HB ASN 76 1HB ASN 76 2.608 12.771 -2.275 619 1HD2 ASN 76 1HD2 ASN 76 4.420 13.877 -5.032 620 2HD2 ASN 76 2HD2 ASN 76 3.867 12.660 -6.138 621 H THR 77 H THR 77 0.682 15.442 -5.106 622 HA THR 77 HA THR 77 -1.924 14.581 -4.306 623 HB THR 77 HB THR 77 -1.580 16.635 -5.615 624 HG1 THR 77 1HG THR 77 -3.225 14.559 -6.578 625 1HG2 THR 77 1HG2 THR 77 -0.827 14.758 -7.862 626 2HG2 THR 77 2HG2 THR 77 0.254 15.888 -7.044 627 3HG2 THR 77 3HG2 THR 77 -1.084 16.497 -8.018 628 H GLU 78 H GLU 78 0.591 12.864 -5.675 629 HA GLU 78 HA GLU 78 -0.976 11.291 -7.510 630 1HB GLU 78 2HB GLU 78 1.849 10.910 -6.517 631 2HB GLU 78 1HB GLU 78 1.107 10.075 -7.866 632 1HG GLU 78 2HG GLU 78 0.930 12.129 -9.106 633 2HG GLU 78 1HG GLU 78 1.539 13.042 -7.727 634 H ILE 79 H ILE 79 0.153 11.095 -4.218 635 HA ILE 79 HA ILE 79 0.121 8.399 -3.694 636 HB ILE 79 HB ILE 79 -0.806 10.600 -1.839 637 1HG1 ILE 79 2HG1 ILE 79 1.905 9.278 -2.145 638 2HG1 ILE 79 1HG1 ILE 79 1.489 10.879 -2.740 639 1HG2 ILE 79 1HG2 ILE 79 -0.264 9.048 -0.021 640 2HG2 ILE 79 2HG2 ILE 79 0.085 7.787 -1.203 641 3HG2 ILE 79 3HG2 ILE 79 -1.552 8.422 -1.050 642 1HD1 ILE 79 1HD1 ILE 79 1.527 10.021 0.140 643 2HD1 ILE 79 2HD1 ILE 79 1.089 11.624 -0.449 644 3HD1 ILE 79 3HD1 ILE 79 2.733 11.021 -0.670 645 HA PRO 80 HA PRO 80 -4.636 8.536 -2.521 646 1HB PRO 80 2HB PRO 80 -6.020 10.477 -3.934 647 2HB PRO 80 1HB PRO 80 -5.562 10.592 -2.234 648 1HG PRO 80 2HG PRO 80 -4.219 11.741 -4.642 649 2HG PRO 80 1HG PRO 80 -4.465 12.467 -3.041 650 1HD PRO 80 2HD PRO 80 -2.092 11.462 -3.756 651 2HD PRO 80 1HD PRO 80 -2.705 11.277 -2.098 652 H ILE 81 H ILE 81 -3.478 9.546 -5.693 653 HA ILE 81 HA ILE 81 -5.483 8.140 -7.171 654 HB ILE 81 HB ILE 81 -2.783 9.128 -8.107 655 1HG1 ILE 81 2HG1 ILE 81 -5.502 10.457 -8.244 656 2HG1 ILE 81 1HG1 ILE 81 -4.200 10.916 -7.151 657 1HG2 ILE 81 1HG2 ILE 81 -3.790 9.074 -10.346 658 2HG2 ILE 81 2HG2 ILE 81 -5.258 8.373 -9.664 659 3HG2 ILE 81 3HG2 ILE 81 -3.744 7.471 -9.614 660 1HD1 ILE 81 1HD1 ILE 81 -4.364 12.405 -9.076 661 2HD1 ILE 81 2HD1 ILE 81 -4.076 11.041 -10.155 662 3HD1 ILE 81 3HD1 ILE 81 -2.818 11.561 -9.033 663 H LEU 82 H LEU 82 -2.189 7.454 -6.116 664 HA LEU 82 HA LEU 82 -1.895 4.994 -7.494 665 1HB LEU 82 2HB LEU 82 -0.578 5.887 -4.924 666 2HB LEU 82 1HB LEU 82 -0.037 4.578 -5.956 667 HG LEU 82 HG LEU 82 -0.077 7.507 -6.689 668 1HD1 LEU 82 1HD1 LEU 82 2.357 7.305 -6.666 669 2HD1 LEU 82 2HD1 LEU 82 2.215 5.631 -6.126 670 3HD1 LEU 82 3HD1 LEU 82 1.665 6.943 -5.084 671 1HD2 LEU 82 1HD2 LEU 82 -0.523 6.096 -8.625 672 2HD2 LEU 82 2HD2 LEU 82 0.900 5.124 -8.254 673 3HD2 LEU 82 3HD2 LEU 82 1.085 6.814 -8.720 674 H TRP 83 H TRP 83 -2.954 5.816 -4.213 675 HA TRP 83 HA TRP 83 -3.509 3.209 -3.318 676 1HB TRP 83 2HB TRP 83 -3.459 5.078 -1.768 677 2HB TRP 83 1HB TRP 83 -4.820 5.840 -2.587 678 HD1 TRP 83 HD TRP 83 -7.051 5.476 -1.408 679 HE1 TRP 83 1HE TRP 83 -8.051 3.693 0.157 680 HE3 TRP 83 3HE TRP 83 -3.101 2.234 -1.234 681 HZ2 TRP 83 2HZ TRP 83 -7.271 1.239 1.308 682 HZ3 TRP 83 3HZ TRP 83 -3.309 0.196 0.107 683 HH2 TRP 83 HH TRP 83 -5.350 -0.296 1.361 684 H LYS 84 H LYS 84 -5.568 5.596 -4.959 685 HA LYS 84 HA LYS 84 -7.957 4.193 -5.011 686 1HB LYS 84 2HB LYS 84 -7.655 6.553 -5.714 687 2HB LYS 84 1HB LYS 84 -6.839 6.005 -7.164 688 1HG LYS 84 2HG LYS 84 -9.625 5.084 -6.592 689 2HG LYS 84 1HG LYS 84 -9.342 6.691 -7.259 690 1HD LYS 84 2HD LYS 84 -8.175 5.724 -9.157 691 2HD LYS 84 1HD LYS 84 -8.358 4.108 -8.474 692 1HE LYS 84 2HE LYS 84 -10.812 4.368 -8.625 693 2HE LYS 84 1HE LYS 84 -10.573 5.936 -9.397 694 1HZ LYS 84 1HZ LYS 84 -9.566 3.354 -10.465 695 2HZ LYS 84 2HZ LYS 84 -9.454 4.868 -11.221 696 3HZ LYS 84 3HZ LYS 84 -10.970 4.142 -10.998 697 H SER 85 H SER 85 -5.253 4.073 -7.280 698 HA SER 85 HA SER 85 -6.440 2.371 -9.161 699 1HB SER 85 2HB SER 85 -3.512 2.723 -8.490 700 2HB SER 85 1HB SER 85 -4.143 1.980 -9.962 701 HG SER 85 HG SER 85 -4.188 4.672 -9.153 702 H ALA 86 H ALA 86 -4.392 1.610 -6.342 703 HA ALA 86 HA ALA 86 -4.397 -1.201 -6.758 704 1HB ALA 86 1HB ALA 86 -3.992 0.323 -4.185 705 2HB ALA 86 2HB ALA 86 -2.730 -0.069 -5.352 706 3HB ALA 86 3HB ALA 86 -3.557 -1.361 -4.482 707 H TRP 87 H TRP 87 -6.401 0.998 -4.894 708 HA TRP 87 HA TRP 87 -8.066 -0.830 -3.600 709 1HB TRP 87 2HB TRP 87 -7.974 1.608 -3.142 710 2HB TRP 87 1HB TRP 87 -8.758 1.916 -4.679 711 HD1 TRP 87 HD TRP 87 -11.298 1.957 -4.684 712 HE1 TRP 87 1HE TRP 87 -13.154 1.475 -2.960 713 HE3 TRP 87 3HE TRP 87 -8.424 -0.058 -0.981 714 HZ2 TRP 87 2HZ TRP 87 -13.352 0.392 -0.366 715 HZ3 TRP 87 3HZ TRP 87 -9.523 -0.790 1.097 716 HH2 TRP 87 HH TRP 87 -11.934 -0.569 1.397 717 H THR 88 H THR 88 -8.275 0.616 -6.817 718 HA THR 88 HA THR 88 -10.790 -0.281 -7.590 719 HB THR 88 HB THR 88 -8.355 0.062 -9.365 720 HG1 THR 88 1HG THR 88 -8.963 1.933 -8.070 721 1HG2 THR 88 1HG2 THR 88 -9.975 0.468 -11.152 722 2HG2 THR 88 2HG2 THR 88 -11.305 0.165 -10.032 723 3HG2 THR 88 3HG2 THR 88 -10.200 -1.141 -10.462 724 H LEU 89 H LEU 89 -7.634 -1.894 -7.967 725 HA LEU 89 HA LEU 89 -8.633 -4.130 -9.383 726 1HB LEU 89 2HB LEU 89 -6.145 -3.932 -7.686 727 2HB LEU 89 1HB LEU 89 -6.484 -5.182 -8.865 728 HG LEU 89 HG LEU 89 -5.989 -2.259 -9.436 729 1HD1 LEU 89 1HD1 LEU 89 -4.033 -3.115 -10.631 730 2HD1 LEU 89 2HD1 LEU 89 -4.423 -4.747 -10.086 731 3HD1 LEU 89 3HD1 LEU 89 -3.985 -3.507 -8.912 732 1HD2 LEU 89 1HD2 LEU 89 -6.166 -2.868 -11.798 733 2HD2 LEU 89 2HD2 LEU 89 -7.690 -3.139 -10.949 734 3HD2 LEU 89 3HD2 LEU 89 -6.645 -4.504 -11.342 735 H HIS 90 H HIS 90 -8.055 -3.529 -5.956 736 HA HIS 90 HA HIS 90 -8.567 -6.146 -5.033 737 1HB HIS 90 2HB HIS 90 -7.434 -4.599 -3.598 738 2HB HIS 90 1HB HIS 90 -8.753 -3.443 -3.695 739 HD1 HIS 90 1HD HIS 90 -7.697 -6.602 -1.959 740 HD2 HIS 90 2HD HIS 90 -10.891 -3.917 -1.960 741 HE1 HIS 90 1HE HIS 90 -9.062 -7.152 0.084 742 HE2 HIS 90 2HE HIS 90 -10.940 -5.465 0.113 743 H VAL 91 H VAL 91 -10.698 -3.337 -5.438 744 HA VAL 91 HA VAL 91 -12.943 -4.645 -4.245 745 HB VAL 91 HB VAL 91 -12.822 -2.118 -5.889 746 1HG1 VAL 91 1HG1 VAL 91 -15.080 -3.037 -5.875 747 2HG1 VAL 91 2HG1 VAL 91 -14.993 -1.585 -4.879 748 3HG1 VAL 91 3HG1 VAL 91 -15.024 -3.174 -4.117 749 1HG2 VAL 91 1HG2 VAL 91 -12.860 -2.551 -2.906 750 2HG2 VAL 91 2HG2 VAL 91 -12.919 -0.986 -3.720 751 3HG2 VAL 91 3HG2 VAL 91 -11.482 -2.001 -3.861 752 H GLU 92 H GLU 92 -11.870 -4.196 -7.585 753 HA GLU 92 HA GLU 92 -14.464 -5.137 -8.552 754 1HB GLU 92 2HB GLU 92 -13.199 -3.094 -9.472 755 2HB GLU 92 1HB GLU 92 -12.160 -4.262 -10.274 756 1HG GLU 92 2HG GLU 92 -13.816 -3.553 -11.823 757 2HG GLU 92 1HG GLU 92 -14.175 -5.215 -11.362 758 H GLY 93 H GLY 93 -11.365 -6.398 -7.916 759 1HA GLY 93 2HA GLY 93 -11.429 -8.402 -10.006 760 2HA GLY 93 1HA GLY 93 -10.215 -8.242 -8.745 761 H PHE 94 H PHE 94 -13.461 -9.395 -9.450 762 HA PHE 94 HA PHE 94 -13.690 -10.740 -6.902 763 1HB PHE 94 2HB PHE 94 -15.479 -10.779 -9.336 764 2HB PHE 94 1HB PHE 94 -15.846 -11.593 -7.822 765 HD1 PHE 94 1HD PHE 94 -16.035 -10.168 -5.730 766 HD2 PHE 94 2HD PHE 94 -16.061 -8.556 -9.667 767 HE1 PHE 94 1HE PHE 94 -17.110 -8.121 -4.885 768 HE2 PHE 94 2HE PHE 94 -17.129 -6.508 -8.830 769 HZ PHE 94 HZ PHE 94 -17.655 -6.287 -6.437 770 H HIS 95 H HIS 95 -14.255 -12.130 -10.145 771 HA HIS 95 HA HIS 95 -12.655 -14.455 -9.331 772 1HB HIS 95 2HB HIS 95 -14.981 -14.909 -8.666 773 2HB HIS 95 1HB HIS 95 -15.513 -14.620 -10.316 774 HD1 HIS 95 1HD HIS 95 -13.949 -17.184 -8.121 775 HD2 HIS 95 2HD HIS 95 -14.893 -16.696 -12.145 776 HE1 HIS 95 1HE HIS 95 -13.745 -19.471 -9.152 777 HE2 HIS 95 2HE HIS 95 -14.185 -19.128 -11.611 778 H GLU 96 H GLU 96 -14.689 -13.191 -11.987 779 HA GLU 96 HA GLU 96 -12.832 -14.449 -13.873 780 1HB GLU 96 2HB GLU 96 -14.597 -14.089 -15.561 781 2HB GLU 96 1HB GLU 96 -15.146 -15.065 -14.206 782 1HG GLU 96 2HG GLU 96 -16.241 -13.086 -13.252 783 2HG GLU 96 1HG GLU 96 -15.724 -12.148 -14.653 784 H LEU 97 H LEU 97 -14.009 -11.363 -12.782 785 HA LEU 97 HA LEU 97 -12.611 -9.934 -14.881 786 1HB LEU 97 2HB LEU 97 -14.236 -9.105 -12.504 787 2HB LEU 97 1HB LEU 97 -13.168 -7.945 -13.266 788 HG LEU 97 HG LEU 97 -15.360 -7.609 -14.134 789 1HD1 LEU 97 1HD1 LEU 97 -13.569 -7.373 -15.749 790 2HD1 LEU 97 2HD1 LEU 97 -15.022 -7.997 -16.529 791 3HD1 LEU 97 3HD1 LEU 97 -13.685 -9.084 -16.158 792 1HD2 LEU 97 1HD2 LEU 97 -16.345 -9.761 -13.585 793 2HD2 LEU 97 2HD2 LEU 97 -15.390 -10.536 -14.848 794 3HD2 LEU 97 3HD2 LEU 97 -16.629 -9.357 -15.279 795 H SER 98 H SER 98 -10.609 -11.066 -14.379 796 HA SER 98 HA SER 98 -9.225 -10.201 -11.960 797 1HB SER 98 2HB SER 98 -8.286 -12.070 -14.152 798 2HB SER 98 1HB SER 98 -7.558 -11.862 -12.556 799 HG SER 98 HG SER 98 -9.395 -13.587 -13.207 800 H LEU 99 H LEU 99 -9.884 -8.366 -14.177 801 HA LEU 99 HA LEU 99 -9.056 -6.969 -15.749 802 1HB LEU 99 2HB LEU 99 -6.967 -6.808 -13.591 803 2HB LEU 99 1HB LEU 99 -7.235 -5.598 -14.832 804 HG LEU 99 HG LEU 99 -8.339 -4.734 -12.999 805 1HD1 LEU 99 1HD1 LEU 99 -10.465 -6.234 -14.477 806 2HD1 LEU 99 2HD1 LEU 99 -9.763 -4.687 -14.950 807 3HD1 LEU 99 3HD1 LEU 99 -10.713 -4.808 -13.468 808 1HD2 LEU 99 1HD2 LEU 99 -9.473 -7.441 -12.396 809 2HD2 LEU 99 2HD2 LEU 99 -9.814 -5.962 -11.499 810 3HD2 LEU 99 3HD2 LEU 99 -8.182 -6.628 -11.511 811 H ASN 100 H ASN 100 -6.367 -6.199 -16.254 812 HA ASN 100 HA ASN 100 -5.441 -8.588 -17.705 813 1HB ASN 100 2HB ASN 100 -5.316 -5.688 -18.535 814 2HB ASN 100 1HB ASN 100 -4.532 -6.999 -19.402 815 1HD2 ASN 100 1HD2 ASN 100 -6.743 -5.086 -20.086 816 2HD2 ASN 100 2HD2 ASN 100 -8.017 -6.109 -20.671 817 H GLU 101 H GLU 101 -3.189 -8.711 -18.141 818 HA GLU 101 HA GLU 101 -1.630 -8.395 -15.814 819 1HB GLU 101 2HB GLU 101 -1.413 -10.099 -17.730 820 2HB GLU 101 1HB GLU 101 -0.521 -8.847 -18.575 821 1HG GLU 101 2HG GLU 101 1.117 -8.783 -16.775 822 2HG GLU 101 1HG GLU 101 0.220 -10.034 -15.913 823 H LYS 102 H LYS 102 -2.108 -6.469 -18.630 824 HA LYS 102 HA LYS 102 0.108 -4.846 -18.724 825 1HB LYS 102 2HB LYS 102 -1.746 -4.951 -20.364 826 2HB LYS 102 1HB LYS 102 -2.775 -4.098 -19.228 827 1HG LYS 102 2HG LYS 102 -1.418 -2.150 -19.367 828 2HG LYS 102 1HG LYS 102 -0.223 -2.986 -20.357 829 1HD LYS 102 2HD LYS 102 -1.901 -3.279 -22.123 830 2HD LYS 102 1HD LYS 102 -3.092 -2.437 -21.132 831 1HE LYS 102 2HE LYS 102 -0.492 -1.216 -22.036 832 2HE LYS 102 1HE LYS 102 -2.011 -1.040 -22.912 833 1HZ LYS 102 1HZ LYS 102 -1.388 0.806 -21.327 834 2HZ LYS 102 2HZ LYS 102 -1.744 -0.271 -20.069 835 3HZ LYS 102 3HZ LYS 102 -2.956 0.174 -21.165 836 H GLU 103 H GLU 103 -2.875 -4.422 -16.858 837 HA GLU 103 HA GLU 103 -2.021 -1.988 -15.652 838 1HB GLU 103 2HB GLU 103 -4.313 -3.864 -15.150 839 2HB GLU 103 1HB GLU 103 -4.021 -2.462 -14.137 840 1HG GLU 103 2HG GLU 103 -4.642 -2.491 -17.073 841 2HG GLU 103 1HG GLU 103 -5.643 -1.860 -15.764 842 H VAL 104 H VAL 104 -1.870 -5.368 -14.764 843 HA VAL 104 HA VAL 104 -1.294 -5.080 -12.036 844 HB VAL 104 HB VAL 104 -0.288 -7.234 -13.909 845 1HG1 VAL 104 1HG1 VAL 104 -0.566 -7.215 -10.907 846 2HG1 VAL 104 2HG1 VAL 104 0.942 -7.217 -11.821 847 3HG1 VAL 104 3HG1 VAL 104 -0.130 -8.615 -11.886 848 1HG2 VAL 104 1HG2 VAL 104 -2.701 -7.071 -14.004 849 2HG2 VAL 104 2HG2 VAL 104 -2.799 -7.097 -12.243 850 3HG2 VAL 104 3HG2 VAL 104 -2.235 -8.522 -13.116 851 H LYS 105 H LYS 105 0.845 -5.171 -14.869 852 HA LYS 105 HA LYS 105 3.273 -4.952 -13.442 853 1HB LYS 105 2HB LYS 105 2.599 -4.162 -16.282 854 2HB LYS 105 1HB LYS 105 4.230 -4.205 -15.625 855 1HG LYS 105 2HG LYS 105 2.363 -6.550 -15.937 856 2HG LYS 105 1HG LYS 105 3.795 -6.204 -16.908 857 1HD LYS 105 2HD LYS 105 5.171 -6.391 -14.845 858 2HD LYS 105 1HD LYS 105 3.719 -6.873 -13.966 859 1HE LYS 105 2HE LYS 105 4.905 -8.857 -14.547 860 2HE LYS 105 1HE LYS 105 3.478 -8.771 -15.578 861 1HZ LYS 105 1HZ LYS 105 5.536 -9.410 -16.770 862 2HZ LYS 105 2HZ LYS 105 6.189 -7.887 -16.408 863 3HZ LYS 105 3HZ LYS 105 4.817 -8.005 -17.389 864 H LYS 106 H LYS 106 0.905 -2.614 -14.447 865 HA LYS 106 HA LYS 106 2.566 -0.312 -14.052 866 1HB LYS 106 2HB LYS 106 -0.419 -0.657 -14.350 867 2HB LYS 106 1HB LYS 106 0.339 0.911 -14.096 868 1HG LYS 106 2HG LYS 106 1.501 0.789 -16.147 869 2HG LYS 106 1HG LYS 106 1.105 -0.915 -16.350 870 1HD LYS 106 2HD LYS 106 -0.266 0.392 -17.828 871 2HD LYS 106 1HD LYS 106 -1.281 -0.295 -16.566 872 1HE LYS 106 2HE LYS 106 -0.176 2.462 -16.241 873 2HE LYS 106 1HE LYS 106 -1.567 2.200 -17.287 874 1HZ LYS 106 1HZ LYS 106 -1.358 1.665 -14.377 875 2HZ LYS 106 2HZ LYS 106 -2.639 1.079 -15.331 876 3HZ LYS 106 3HZ LYS 106 -2.394 2.746 -15.168 877 H LEU 107 H LEU 107 -0.064 -1.815 -12.184 878 HA LEU 107 HA LEU 107 0.086 -0.026 -10.009 879 1HB LEU 107 2HB LEU 107 -1.251 -2.563 -10.600 880 2HB LEU 107 1HB LEU 107 -0.862 -2.355 -8.904 881 HG LEU 107 HG LEU 107 -3.106 -1.583 -9.300 882 1HD1 LEU 107 1HD1 LEU 107 -1.217 0.732 -8.907 883 2HD1 LEU 107 2HD1 LEU 107 -1.788 -0.372 -7.655 884 3HD1 LEU 107 3HD1 LEU 107 -2.925 0.704 -8.466 885 1HD2 LEU 107 1HD2 LEU 107 -2.903 -1.097 -11.693 886 2HD2 LEU 107 2HD2 LEU 107 -1.931 0.325 -11.318 887 3HD2 LEU 107 3HD2 LEU 107 -3.616 0.251 -10.807 888 H LYS 108 H LYS 108 1.744 -3.069 -10.665 889 HA LYS 108 HA LYS 108 2.843 -3.484 -8.120 890 1HB LYS 108 2HB LYS 108 2.825 -4.949 -10.322 891 2HB LYS 108 1HB LYS 108 4.390 -4.194 -10.582 892 1HG LYS 108 2HG LYS 108 3.769 -5.540 -7.986 893 2HG LYS 108 1HG LYS 108 4.261 -6.481 -9.391 894 1HD LYS 108 2HD LYS 108 5.838 -4.187 -8.231 895 2HD LYS 108 1HD LYS 108 6.137 -5.889 -7.874 896 1HE LYS 108 2HE LYS 108 6.371 -6.204 -10.393 897 2HE LYS 108 1HE LYS 108 6.442 -4.445 -10.496 898 1HZ LYS 108 1HZ LYS 108 8.647 -5.433 -10.400 899 2HZ LYS 108 2HZ LYS 108 8.285 -6.161 -8.914 900 3HZ LYS 108 3HZ LYS 108 8.365 -4.471 -9.040 901 H GLU 109 H GLU 109 3.842 -1.457 -10.795 902 HA GLU 109 HA GLU 109 6.344 -0.689 -9.630 903 1HB GLU 109 2HB GLU 109 4.733 0.172 -11.993 904 2HB GLU 109 1HB GLU 109 6.029 1.214 -11.417 905 1HG GLU 109 2HG GLU 109 6.400 -1.682 -12.118 906 2HG GLU 109 1HG GLU 109 6.674 -0.349 -13.241 907 H ASP 110 H ASP 110 3.085 0.622 -9.692 908 HA ASP 110 HA ASP 110 3.844 3.108 -8.493 909 1HB ASP 110 2HB ASP 110 1.197 1.818 -9.103 910 2HB ASP 110 1HB ASP 110 1.298 3.334 -8.211 911 H VAL 111 H VAL 111 2.771 0.002 -7.301 912 HA VAL 111 HA VAL 111 2.477 0.862 -4.585 913 HB VAL 111 HB VAL 111 3.024 -1.885 -5.737 914 1HG1 VAL 111 1HG1 VAL 111 3.855 -1.782 -3.448 915 2HG1 VAL 111 2HG1 VAL 111 2.396 -2.770 -3.536 916 3HG1 VAL 111 3HG1 VAL 111 2.314 -1.126 -2.902 917 1HG2 VAL 111 1HG2 VAL 111 0.505 -0.623 -4.658 918 2HG2 VAL 111 2HG2 VAL 111 0.666 -2.295 -5.200 919 3HG2 VAL 111 3HG2 VAL 111 0.858 -0.972 -6.350 920 H ARG 112 H ARG 112 5.165 -0.274 -6.569 921 HA ARG 112 HA ARG 112 7.076 -0.590 -4.557 922 1HB ARG 112 2HB ARG 112 7.509 -1.274 -6.866 923 2HB ARG 112 1HB ARG 112 7.471 0.406 -7.389 924 1HG ARG 112 2HG ARG 112 9.465 0.895 -6.128 925 2HG ARG 112 1HG ARG 112 9.468 -0.727 -5.437 926 1HD ARG 112 2HD ARG 112 11.106 -0.518 -7.233 927 2HD ARG 112 1HD ARG 112 9.848 -1.680 -7.646 928 HE ARG 112 HE ARG 112 9.143 -0.304 -9.358 929 1HH1 ARG 112 1HH1 ARG 112 11.560 1.348 -7.403 930 2HH1 ARG 112 2HH1 ARG 112 11.726 2.678 -8.511 931 1HH2 ARG 112 1HH2 ARG 112 9.400 1.426 -10.822 932 2HH2 ARG 112 2HH2 ARG 112 10.491 2.735 -10.442 933 H LYS 113 H LYS 113 5.912 2.298 -6.202 934 HA LYS 113 HA LYS 113 7.660 4.229 -5.243 935 1HB LYS 113 2HB LYS 113 4.671 4.626 -5.384 936 2HB LYS 113 1HB LYS 113 5.932 5.818 -5.636 937 1HG LYS 113 2HG LYS 113 5.492 3.483 -7.471 938 2HG LYS 113 1HG LYS 113 4.712 5.045 -7.685 939 1HD LYS 113 2HD LYS 113 6.938 6.103 -7.813 940 2HD LYS 113 1HD LYS 113 7.678 4.503 -7.687 941 1HE LYS 113 2HE LYS 113 7.508 5.318 -10.022 942 2HE LYS 113 1HE LYS 113 6.643 3.808 -9.750 943 1HZ LYS 113 1HZ LYS 113 4.574 4.997 -9.670 944 2HZ LYS 113 2HZ LYS 113 5.382 5.428 -11.092 945 3HZ LYS 113 3HZ LYS 113 5.365 6.494 -9.771 946 H LEU 114 H LEU 114 4.677 2.989 -3.810 947 HA LEU 114 HA LEU 114 4.774 4.506 -1.451 948 1HB LEU 114 2HB LEU 114 3.212 2.275 -2.554 949 2HB LEU 114 1HB LEU 114 3.263 2.337 -0.814 950 HG LEU 114 HG LEU 114 2.438 4.700 -0.939 951 1HD1 LEU 114 1HD1 LEU 114 2.025 4.021 -3.843 952 2HD1 LEU 114 2HD1 LEU 114 3.172 5.198 -3.203 953 3HD1 LEU 114 3HD1 LEU 114 1.438 5.469 -3.021 954 1HD2 LEU 114 1HD2 LEU 114 0.908 2.888 -0.449 955 2HD2 LEU 114 2HD2 LEU 114 0.696 2.568 -2.170 956 3HD2 LEU 114 3HD2 LEU 114 0.119 4.084 -1.476 957 H VAL 115 H VAL 115 5.855 1.220 -2.212 958 HA VAL 115 HA VAL 115 6.468 0.461 0.426 959 HB VAL 115 HB VAL 115 7.673 -0.538 -2.162 960 1HG1 VAL 115 1HG1 VAL 115 7.773 -1.746 0.607 961 2HG1 VAL 115 2HG1 VAL 115 9.135 -1.081 -0.294 962 3HG1 VAL 115 3HG1 VAL 115 8.323 -2.536 -0.870 963 1HG2 VAL 115 1HG2 VAL 115 5.284 -0.892 -2.090 964 2HG2 VAL 115 2HG2 VAL 115 5.398 -1.576 -0.469 965 3HG2 VAL 115 3HG2 VAL 115 6.107 -2.432 -1.839 966 H ILE 116 H ILE 116 8.536 1.850 -2.115 967 HA ILE 116 HA ILE 116 10.932 1.884 -0.662 968 HB ILE 116 HB ILE 116 9.984 3.890 -2.723 969 1HG1 ILE 116 2HG1 ILE 116 11.819 1.505 -3.031 970 2HG1 ILE 116 1HG1 ILE 116 10.116 1.516 -3.484 971 1HG2 ILE 116 1HG2 ILE 116 11.799 4.803 -1.355 972 2HG2 ILE 116 2HG2 ILE 116 12.343 4.476 -3.001 973 3HG2 ILE 116 3HG2 ILE 116 12.778 3.375 -1.695 974 1HD1 ILE 116 1HD1 ILE 116 12.282 3.248 -4.656 975 2HD1 ILE 116 2HD1 ILE 116 10.578 3.289 -5.104 976 3HD1 ILE 116 3HD1 ILE 116 11.536 1.843 -5.417 977 H PHE 117 H PHE 117 8.164 4.021 -0.599 978 HA PHE 117 HA PHE 117 9.560 6.116 0.805 979 1HB PHE 117 2HB PHE 117 7.617 6.405 -0.852 980 2HB PHE 117 1HB PHE 117 6.574 5.898 0.470 981 HD1 PHE 117 1HD PHE 117 9.561 8.120 0.421 982 HD2 PHE 117 2HD PHE 117 5.390 7.750 1.161 983 HE1 PHE 117 1HE PHE 117 9.509 10.435 1.251 984 HE2 PHE 117 2HE PHE 117 5.331 10.064 2.001 985 HZ PHE 117 HZ PHE 117 7.394 11.413 2.044 986 H ALA 118 H ALA 118 7.272 3.563 1.564 987 HA ALA 118 HA ALA 118 6.833 4.215 4.268 988 1HB ALA 118 1HB ALA 118 6.825 1.498 2.959 989 2HB ALA 118 2HB ALA 118 5.453 2.602 3.059 990 3HB ALA 118 3HB ALA 118 6.124 1.894 4.527 991 H VAL 119 H VAL 119 9.149 1.971 2.762 992 HA VAL 119 HA VAL 119 10.473 1.311 5.175 993 HB VAL 119 HB VAL 119 11.602 1.204 2.367 994 1HG1 VAL 119 1HG1 VAL 119 12.391 -0.274 4.881 995 2HG1 VAL 119 2HG1 VAL 119 13.316 1.010 4.100 996 3HG1 VAL 119 3HG1 VAL 119 13.078 -0.532 3.277 997 1HG2 VAL 119 1HG2 VAL 119 10.112 -0.897 3.941 998 2HG2 VAL 119 2HG2 VAL 119 10.863 -1.129 2.362 999 3HG2 VAL 119 3HG2 VAL 119 9.499 -0.024 2.536 1000 H ASN 120 H ASN 120 10.860 3.885 2.843 1001 HA ASN 120 HA ASN 120 13.334 4.919 3.723 1002 1HB ASN 120 2HB ASN 120 12.121 5.542 1.596 1003 2HB ASN 120 1HB ASN 120 11.031 6.511 2.578 1004 1HD2 ASN 120 1HD2 ASN 120 14.204 6.218 1.263 1005 2HD2 ASN 120 2HD2 ASN 120 14.736 7.823 1.626 1006 H SER 121 H SER 121 10.050 5.294 4.867 1007 HA SER 121 HA SER 121 10.561 7.482 6.617 1008 1HB SER 121 2HB SER 121 8.298 6.709 5.676 1009 2HB SER 121 1HB SER 121 8.343 5.437 6.892 1010 HG SER 121 HG SER 121 8.858 7.674 8.179 1011 H LEU 122 H LEU 122 11.016 4.065 6.736 1012 HA LEU 122 HA LEU 122 11.294 4.006 9.615 1013 1HB LEU 122 2HB LEU 122 10.421 2.126 7.984 1014 2HB LEU 122 1HB LEU 122 12.129 1.742 7.870 1015 HG LEU 122 HG LEU 122 12.193 1.517 10.356 1016 1HD1 LEU 122 1HD1 LEU 122 10.082 1.341 11.560 1017 2HD1 LEU 122 2HD1 LEU 122 9.202 1.767 10.091 1018 3HD1 LEU 122 3HD1 LEU 122 10.277 2.942 10.847 1019 1HD2 LEU 122 1HD2 LEU 122 11.969 -0.446 8.925 1020 2HD2 LEU 122 2HD2 LEU 122 10.217 -0.257 8.920 1021 3HD2 LEU 122 3HD2 LEU 122 11.058 -0.650 10.420 1022 H GLU 123 H GLU 123 13.329 3.687 6.758 1023 HA GLU 123 HA GLU 123 15.783 3.360 8.129 1024 1HB GLU 123 2HB GLU 123 15.234 4.477 5.378 1025 2HB GLU 123 1HB GLU 123 16.829 4.055 5.982 1026 1HG GLU 123 2HG GLU 123 16.160 1.723 6.162 1027 2HG GLU 123 1HG GLU 123 14.539 2.136 5.599 1028 H HIS 124 H HIS 124 13.955 6.097 7.090 1029 HA HIS 124 HA HIS 124 15.936 7.906 8.300 1030 1HB HIS 124 2HB HIS 124 15.739 8.083 5.812 1031 2HB HIS 124 1HB HIS 124 14.050 8.523 6.014 1032 HD1 HIS 124 1HD HIS 124 14.223 10.864 5.081 1033 HD2 HIS 124 2HD HIS 124 16.913 10.155 8.170 1034 HE1 HIS 124 1HE HIS 124 15.200 13.104 5.652 1035 HE2 HIS 124 2HE HIS 124 16.925 12.637 7.427 1036 H HIS 125 H HIS 125 14.289 6.892 10.037 1037 HA HIS 125 HA HIS 125 11.794 8.277 10.314 1038 1HB HIS 125 2HB HIS 125 11.708 7.203 12.556 1039 2HB HIS 125 1HB HIS 125 11.994 6.058 11.252 1040 HD1 HIS 125 1HD HIS 125 14.119 4.692 11.339 1041 HD2 HIS 125 2HD HIS 125 13.967 7.656 14.254 1042 HE1 HIS 125 1HE HIS 125 16.060 4.236 12.872 1043 HE2 HIS 125 2HE HIS 125 15.879 5.969 14.698 1044 H HIS 126 H HIS 126 13.995 9.986 9.985 1045 HA HIS 126 HA HIS 126 13.734 11.619 12.401 1046 1HB HIS 126 2HB HIS 126 15.998 10.446 12.300 1047 2HB HIS 126 1HB HIS 126 16.318 11.365 10.835 1048 HD1 HIS 126 1HD HIS 126 16.484 14.033 11.150 1049 HD2 HIS 126 2HD HIS 126 16.498 11.765 14.641 1050 HE1 HIS 126 1HE HIS 126 17.394 15.542 12.940 1051 HE2 HIS 126 2HE HIS 126 17.620 14.067 14.968 1052 H HIS 127 H HIS 127 12.058 12.571 11.063 1053 HA HIS 127 HA HIS 127 12.809 13.647 8.493 1054 1HB HIS 127 2HB HIS 127 10.274 13.352 10.009 1055 2HB HIS 127 1HB HIS 127 10.353 14.644 8.815 1056 HD1 HIS 127 1HD HIS 127 9.773 11.044 9.144 1057 HD2 HIS 127 2HD HIS 127 11.012 13.667 6.151 1058 HE1 HIS 127 1HE HIS 127 9.494 9.796 6.978 1059 HE2 HIS 127 2HE HIS 127 10.417 11.335 5.212 1060 H HIS 128 H HIS 128 13.615 15.528 8.120 1061 HA HIS 128 HA HIS 128 13.829 17.480 10.245 1062 1HB HIS 128 2HB HIS 128 15.789 17.025 8.883 1063 2HB HIS 128 1HB HIS 128 14.903 17.432 7.419 1064 HD1 HIS 128 1HD HIS 128 14.641 19.913 6.842 1065 HD2 HIS 128 2HD HIS 128 16.586 19.227 10.451 1066 HE1 HIS 128 1HE HIS 128 15.627 22.126 7.506 1067 HE2 HIS 128 2HE HIS 128 16.667 21.721 9.768 1068 H HIS 129 H HIS 129 12.560 19.182 10.491 1069 HA HIS 129 HA HIS 129 10.739 19.975 8.352 1070 1HB HIS 129 2HB HIS 129 11.017 20.805 11.241 1071 2HB HIS 129 1HB HIS 129 9.990 21.687 10.117 1072 HD1 HIS 129 1HD HIS 129 9.949 18.926 12.437 1073 HD2 HIS 129 2HD HIS 129 7.899 19.952 8.967 1074 HE1 HIS 129 1HE HIS 129 7.867 17.513 12.433 1075 HE2 HIS 129 2HE HIS 129 6.529 18.348 10.467 Start of MODEL 9 1 1H MET 1 1HT MET 1 19.730 -4.044 1.104 2 2H MET 1 2HT MET 1 19.436 -2.394 0.846 3 3H MET 1 3HT MET 1 18.670 -3.551 -0.122 4 HA MET 1 HA MET 1 17.169 -2.618 1.525 5 1HB MET 1 2HB MET 1 17.912 -5.531 1.769 6 2HB MET 1 1HB MET 1 16.523 -4.848 2.594 7 1HG MET 1 2HG MET 1 15.819 -5.910 0.563 8 2HG MET 1 1HG MET 1 15.592 -4.167 0.426 9 1HE MET 1 1HE MET 1 15.307 -4.340 -2.183 10 2HE MET 1 2HE MET 1 15.495 -6.091 -2.091 11 3HE MET 1 3HE MET 1 16.451 -5.159 -3.245 12 H SER 2 H SER 2 17.110 -1.582 3.375 13 HA SER 2 HA SER 2 19.244 -2.055 5.316 14 1HB SER 2 2HB SER 2 17.210 0.184 5.219 15 2HB SER 2 1HB SER 2 18.648 0.113 6.237 16 HG SER 2 HG SER 2 18.401 0.934 3.673 17 H ILE 3 H ILE 3 15.714 -2.012 5.092 18 HA ILE 3 HA ILE 3 15.623 -3.409 7.682 19 HB ILE 3 HB ILE 3 13.444 -1.531 6.743 20 1HG1 ILE 3 2HG1 ILE 3 14.480 -0.318 8.924 21 2HG1 ILE 3 1HG1 ILE 3 15.940 -0.972 8.196 22 1HG2 ILE 3 1HG2 ILE 3 12.771 -1.617 9.142 23 2HG2 ILE 3 2HG2 ILE 3 13.970 -2.891 9.376 24 3HG2 ILE 3 3HG2 ILE 3 12.608 -3.145 8.283 25 1HD1 ILE 3 1HD1 ILE 3 13.955 0.813 6.813 26 2HD1 ILE 3 2HD1 ILE 3 15.447 0.177 6.120 27 3HD1 ILE 3 3HD1 ILE 3 15.514 1.315 7.466 28 H SER 4 H SER 4 13.552 -4.632 7.924 29 HA SER 4 HA SER 4 12.440 -5.535 5.374 30 1HB SER 4 2HB SER 4 12.508 -7.926 6.342 31 2HB SER 4 1HB SER 4 14.007 -7.259 5.705 32 HG SER 4 HG SER 4 14.168 -6.541 8.116 33 H THR 5 H THR 5 10.635 -4.305 5.931 34 HA THR 5 HA THR 5 9.154 -4.956 8.349 35 HB THR 5 HB THR 5 8.197 -3.094 6.186 36 HG1 THR 5 1HG THR 5 9.980 -2.327 8.266 37 1HG2 THR 5 1HG2 THR 5 7.967 -3.090 9.201 38 2HG2 THR 5 2HG2 THR 5 6.689 -3.492 8.054 39 3HG2 THR 5 3HG2 THR 5 7.315 -1.847 8.132 40 H SER 6 H SER 6 6.721 -5.284 8.065 41 HA SER 6 HA SER 6 6.152 -7.651 6.791 42 1HB SER 6 2HB SER 6 3.715 -6.832 7.031 43 2HB SER 6 1HB SER 6 4.690 -6.966 8.495 44 HG SER 6 HG SER 6 3.396 -4.911 7.983 45 H ALA 7 H ALA 7 5.836 -4.377 5.545 46 HA ALA 7 HA ALA 7 4.373 -4.829 3.237 47 1HB ALA 7 1HB ALA 7 6.677 -2.906 3.554 48 2HB ALA 7 2HB ALA 7 5.017 -2.599 4.062 49 3HB ALA 7 3HB ALA 7 5.390 -2.812 2.351 50 H GLU 8 H GLU 8 7.927 -4.883 3.588 51 HA GLU 8 HA GLU 8 8.445 -5.766 0.964 52 1HB GLU 8 2HB GLU 8 10.071 -5.858 3.501 53 2HB GLU 8 1HB GLU 8 10.687 -6.459 1.969 54 1HG GLU 8 2HG GLU 8 9.674 -3.659 2.352 55 2HG GLU 8 1HG GLU 8 11.359 -4.125 2.577 56 H VAL 9 H VAL 9 7.770 -7.495 3.948 57 HA VAL 9 HA VAL 9 8.569 -10.064 3.107 58 HB VAL 9 HB VAL 9 6.391 -9.339 5.082 59 1HG1 VAL 9 1HG1 VAL 9 7.930 -11.916 4.730 60 2HG1 VAL 9 2HG1 VAL 9 6.233 -11.662 4.323 61 3HG1 VAL 9 3HG1 VAL 9 6.758 -11.574 6.004 62 1HG2 VAL 9 1HG2 VAL 9 8.527 -8.364 5.697 63 2HG2 VAL 9 2HG2 VAL 9 9.325 -9.923 5.492 64 3HG2 VAL 9 3HG2 VAL 9 8.138 -9.702 6.777 65 H TYR 10 H TYR 10 5.400 -8.452 2.960 66 HA TYR 10 HA TYR 10 4.167 -10.613 1.537 67 1HB TYR 10 2HB TYR 10 3.347 -7.788 2.159 68 2HB TYR 10 1HB TYR 10 2.393 -8.789 1.067 69 HD1 TYR 10 1HD TYR 10 1.410 -10.924 1.918 70 HD2 TYR 10 2HD TYR 10 3.201 -8.076 4.520 71 HE1 TYR 10 1HE TYR 10 0.273 -11.966 3.830 72 HE2 TYR 10 2HE TYR 10 2.060 -9.108 6.442 73 HH TYR 10 HH TYR 10 0.627 -12.142 6.313 74 H TYR 11 H TYR 11 5.770 -7.624 0.649 75 HA TYR 11 HA TYR 11 5.016 -7.544 -2.058 76 1HB TYR 11 2HB TYR 11 6.152 -5.705 -0.701 77 2HB TYR 11 1HB TYR 11 7.661 -6.570 -0.964 78 HD1 TYR 11 1HD TYR 11 4.832 -4.979 -2.776 79 HD2 TYR 11 2HD TYR 11 8.914 -6.171 -2.903 80 HE1 TYR 11 1HE TYR 11 5.105 -3.800 -4.916 81 HE2 TYR 11 2HE TYR 11 9.196 -5.001 -5.047 82 HH TYR 11 HH TYR 11 6.749 -2.901 -6.331 83 H GLU 12 H GLU 12 7.664 -9.175 -0.390 84 HA GLU 12 HA GLU 12 9.111 -10.029 -2.624 85 1HB GLU 12 2HB GLU 12 9.918 -10.160 -0.290 86 2HB GLU 12 1HB GLU 12 8.772 -11.457 0.021 87 1HG GLU 12 2HG GLU 12 9.900 -12.897 -1.540 88 2HG GLU 12 1HG GLU 12 10.984 -11.591 -2.014 89 H GLU 13 H GLU 13 6.397 -11.627 -0.941 90 HA GLU 13 HA GLU 13 6.334 -13.918 -2.623 91 1HB GLU 13 2HB GLU 13 4.071 -12.604 -1.106 92 2HB GLU 13 1HB GLU 13 4.017 -14.203 -1.827 93 1HG GLU 13 2HG GLU 13 5.825 -14.907 -0.303 94 2HG GLU 13 1HG GLU 13 5.754 -13.314 0.459 95 H ALA 14 H ALA 14 4.738 -10.767 -2.753 96 HA ALA 14 HA ALA 14 3.094 -11.216 -4.966 97 1HB ALA 14 1HB ALA 14 4.472 -8.656 -4.158 98 2HB ALA 14 2HB ALA 14 2.917 -9.229 -3.555 99 3HB ALA 14 3HB ALA 14 3.098 -8.788 -5.254 100 H GLU 15 H GLU 15 6.422 -10.068 -4.764 101 HA GLU 15 HA GLU 15 7.008 -9.874 -7.485 102 1HB GLU 15 2HB GLU 15 8.755 -10.684 -5.159 103 2HB GLU 15 1HB GLU 15 9.368 -10.281 -6.750 104 1HG GLU 15 2HG GLU 15 7.849 -8.431 -4.932 105 2HG GLU 15 1HG GLU 15 9.593 -8.427 -5.194 106 H GLU 16 H GLU 16 7.175 -12.629 -5.277 107 HA GLU 16 HA GLU 16 8.362 -14.454 -7.009 108 1HB GLU 16 2HB GLU 16 6.647 -14.723 -4.582 109 2HB GLU 16 1HB GLU 16 7.292 -16.119 -5.402 110 1HG GLU 16 2HG GLU 16 8.811 -13.918 -4.057 111 2HG GLU 16 1HG GLU 16 8.731 -15.615 -3.586 112 H PHE 17 H PHE 17 4.974 -13.719 -6.397 113 HA PHE 17 HA PHE 17 4.077 -15.835 -8.125 114 1HB PHE 17 2HB PHE 17 2.632 -13.630 -6.678 115 2HB PHE 17 1HB PHE 17 1.806 -14.694 -7.814 116 HD1 PHE 17 2HD PHE 17 2.195 -17.260 -7.405 117 HD2 PHE 17 1HD PHE 17 2.691 -14.232 -4.455 118 HE1 PHE 17 2HE PHE 17 1.895 -18.941 -5.637 119 HE2 PHE 17 1HE PHE 17 2.394 -15.911 -2.683 120 HZ PHE 17 HZ PHE 17 1.996 -18.266 -3.271 121 H LEU 18 H LEU 18 4.573 -12.366 -8.461 122 HA LEU 18 HA LEU 18 3.141 -12.173 -10.917 123 1HB LEU 18 2HB LEU 18 3.704 -10.255 -9.374 124 2HB LEU 18 1HB LEU 18 5.344 -10.341 -9.990 125 HG LEU 18 HG LEU 18 4.524 -9.872 -12.260 126 1HD1 LEU 18 1HD1 LEU 18 2.207 -9.147 -12.592 127 2HD1 LEU 18 2HD1 LEU 18 1.836 -9.585 -10.926 128 3HD1 LEU 18 3HD1 LEU 18 2.302 -10.833 -12.082 129 1HD2 LEU 18 1HD2 LEU 18 3.905 -7.535 -11.904 130 2HD2 LEU 18 2HD2 LEU 18 5.240 -8.020 -10.856 131 3HD2 LEU 18 3HD2 LEU 18 3.610 -7.874 -10.199 132 H SER 19 H SER 19 6.388 -13.069 -10.062 133 HA SER 19 HA SER 19 7.345 -12.902 -12.788 134 1HB SER 19 2HB SER 19 9.398 -14.012 -11.801 135 2HB SER 19 1HB SER 19 8.974 -12.455 -11.089 136 HG SER 19 HG SER 19 8.439 -13.406 -9.259 137 H LYS 20 H LYS 20 5.408 -14.972 -11.107 138 HA LYS 20 HA LYS 20 6.252 -17.340 -12.614 139 1HB LYS 20 2HB LYS 20 5.891 -17.387 -10.081 140 2HB LYS 20 1HB LYS 20 4.175 -17.229 -10.429 141 1HG LYS 20 2HG LYS 20 4.141 -19.321 -11.574 142 2HG LYS 20 1HG LYS 20 5.901 -19.446 -11.501 143 1HD LYS 20 2HD LYS 20 5.749 -19.517 -9.030 144 2HD LYS 20 1HD LYS 20 3.991 -19.511 -9.166 145 1HE LYS 20 2HE LYS 20 4.049 -21.604 -10.385 146 2HE LYS 20 1HE LYS 20 5.811 -21.598 -10.356 147 1HZ LYS 20 1HZ LYS 20 4.815 -23.047 -8.663 148 2HZ LYS 20 2HZ LYS 20 4.085 -21.698 -7.941 149 3HZ LYS 20 3HZ LYS 20 5.778 -21.827 -7.982 150 H GLY 21 H GLY 21 4.071 -14.790 -12.686 151 1HA GLY 21 2HA GLY 21 2.756 -14.387 -14.615 152 2HA GLY 21 1HA GLY 21 2.613 -16.122 -14.847 153 H ASP 22 H ASP 22 2.090 -15.390 -11.616 154 HA ASP 22 HA ASP 22 -0.787 -15.764 -12.022 155 1HB ASP 22 2HB ASP 22 0.537 -17.233 -10.418 156 2HB ASP 22 1HB ASP 22 0.690 -15.817 -9.383 157 H LEU 23 H LEU 23 -2.031 -14.042 -12.066 158 HA LEU 23 HA LEU 23 -1.077 -11.526 -10.981 159 1HB LEU 23 2HB LEU 23 -3.609 -12.197 -12.484 160 2HB LEU 23 1HB LEU 23 -3.093 -10.581 -12.043 161 HG LEU 23 HG LEU 23 -1.588 -12.419 -13.907 162 1HD1 LEU 23 1HD1 LEU 23 -2.342 -10.918 -15.675 163 2HD1 LEU 23 2HD1 LEU 23 -3.301 -10.011 -14.507 164 3HD1 LEU 23 3HD1 LEU 23 -3.708 -11.688 -14.869 165 1HD2 LEU 23 1HD2 LEU 23 -1.170 -9.517 -13.204 166 2HD2 LEU 23 2HD2 LEU 23 -0.278 -10.419 -14.428 167 3HD2 LEU 23 3HD2 LEU 23 -0.135 -10.862 -12.726 168 H VAL 24 H VAL 24 -3.426 -13.986 -10.256 169 HA VAL 24 HA VAL 24 -5.189 -12.389 -8.716 170 HB VAL 24 HB VAL 24 -4.814 -15.385 -8.606 171 1HG1 VAL 24 1HG1 VAL 24 -7.134 -15.404 -7.801 172 2HG1 VAL 24 2HG1 VAL 24 -7.147 -13.642 -7.813 173 3HG1 VAL 24 3HG1 VAL 24 -6.074 -14.508 -6.713 174 1HG2 VAL 24 1HG2 VAL 24 -6.663 -15.483 -10.221 175 2HG2 VAL 24 2HG2 VAL 24 -5.256 -14.656 -10.889 176 3HG2 VAL 24 3HG2 VAL 24 -6.649 -13.724 -10.336 177 H GLN 25 H GLN 25 -2.719 -14.783 -7.753 178 HA GLN 25 HA GLN 25 -3.093 -14.299 -4.970 179 1HB GLN 25 2HB GLN 25 -0.796 -15.604 -6.440 180 2HB GLN 25 1HB GLN 25 -1.014 -15.624 -4.694 181 1HG GLN 25 2HG GLN 25 -3.116 -16.833 -4.967 182 2HG GLN 25 1HG GLN 25 -2.898 -16.812 -6.717 183 1HE2 GLN 25 1HE2 GLN 25 -1.327 -18.118 -7.651 184 2HE2 GLN 25 2HE2 GLN 25 -0.589 -19.429 -6.787 185 H ALA 26 H ALA 26 -1.121 -12.854 -7.428 186 HA ALA 26 HA ALA 26 0.758 -11.637 -5.657 187 1HB ALA 26 1HB ALA 26 0.094 -10.924 -8.510 188 2HB ALA 26 2HB ALA 26 1.283 -12.123 -8.003 189 3HB ALA 26 3HB ALA 26 1.526 -10.420 -7.610 190 H CYS 27 H CYS 27 -2.121 -10.435 -7.400 191 HA CYS 27 HA CYS 27 -1.773 -7.740 -6.781 192 1HB CYS 27 2HB CYS 27 -4.125 -7.441 -7.385 193 2HB CYS 27 1HB CYS 27 -3.312 -8.512 -8.517 194 HG CYS 27 HG CYS 27 -4.380 -10.812 -6.980 195 H GLU 28 H GLU 28 -3.351 -10.275 -4.901 196 HA GLU 28 HA GLU 28 -4.597 -8.521 -3.061 197 1HB GLU 28 2HB GLU 28 -3.836 -11.428 -2.784 198 2HB GLU 28 1HB GLU 28 -4.813 -10.545 -1.619 199 1HG GLU 28 2HG GLU 28 -6.411 -10.069 -3.521 200 2HG GLU 28 1HG GLU 28 -5.497 -11.250 -4.459 201 H LYS 29 H LYS 29 -1.476 -10.242 -2.990 202 HA LYS 29 HA LYS 29 -0.915 -9.161 -0.374 203 1HB LYS 29 2HB LYS 29 1.357 -10.233 -0.730 204 2HB LYS 29 1HB LYS 29 -0.031 -11.304 -0.660 205 1HG LYS 29 2HG LYS 29 -0.035 -11.388 -3.126 206 2HG LYS 29 1HG LYS 29 1.435 -10.413 -3.123 207 1HD LYS 29 2HD LYS 29 2.062 -12.711 -3.363 208 2HD LYS 29 1HD LYS 29 2.529 -12.175 -1.751 209 1HE LYS 29 2HE LYS 29 -0.086 -13.566 -2.216 210 2HE LYS 29 1HE LYS 29 1.404 -14.486 -2.037 211 1HZ LYS 29 1HZ LYS 29 0.242 -12.616 -0.033 212 2HZ LYS 29 2HZ LYS 29 1.722 -13.429 0.142 213 3HZ LYS 29 3HZ LYS 29 0.273 -14.307 0.063 214 H TYR 30 H TYR 30 -0.340 -8.200 -3.655 215 HA TYR 30 HA TYR 30 1.607 -6.220 -3.137 216 1HB TYR 30 2HB TYR 30 -0.476 -6.629 -5.229 217 2HB TYR 30 1HB TYR 30 0.168 -5.002 -5.047 218 HD1 TYR 30 2HD TYR 30 2.863 -4.981 -4.858 219 HD2 TYR 30 1HD TYR 30 0.546 -7.973 -6.809 220 HE1 TYR 30 2HE TYR 30 4.811 -5.590 -6.227 221 HE2 TYR 30 1HE TYR 30 2.490 -8.582 -8.192 222 HH TYR 30 HH TYR 30 5.663 -7.445 -7.503 223 H TYR 31 H TYR 31 -1.905 -6.272 -2.875 224 HA TYR 31 HA TYR 31 -2.257 -3.604 -2.043 225 1HB TYR 31 2HB TYR 31 -4.114 -4.972 -2.853 226 2HB TYR 31 1HB TYR 31 -3.940 -6.054 -1.477 227 HD1 TYR 31 1HD TYR 31 -4.526 -2.445 -2.220 228 HD2 TYR 31 2HD TYR 31 -5.306 -5.730 0.358 229 HE1 TYR 31 1HE TYR 31 -6.112 -1.063 -0.948 230 HE2 TYR 31 2HE TYR 31 -6.888 -4.358 1.640 231 HH TYR 31 HH TYR 31 -7.389 -2.048 2.082 232 H LYS 32 H LYS 32 -1.559 -6.582 -0.292 233 HA LYS 32 HA LYS 32 -1.925 -5.642 2.319 234 1HB LYS 32 2HB LYS 32 0.115 -7.675 1.384 235 2HB LYS 32 1HB LYS 32 -0.448 -7.459 3.032 236 1HG LYS 32 2HG LYS 32 -2.029 -8.462 0.680 237 2HG LYS 32 1HG LYS 32 -1.532 -9.368 2.110 238 1HD LYS 32 2HD LYS 32 -3.420 -7.016 2.106 239 2HD LYS 32 1HD LYS 32 -3.908 -8.708 2.172 240 1HE LYS 32 2HE LYS 32 -2.901 -8.997 4.316 241 2HE LYS 32 1HE LYS 32 -2.104 -7.425 4.216 242 1HZ LYS 32 1HZ LYS 32 -5.035 -7.876 4.379 243 2HZ LYS 32 2HZ LYS 32 -4.278 -6.364 4.249 244 3HZ LYS 32 3HZ LYS 32 -4.048 -7.311 5.639 245 H ALA 33 H ALA 33 0.982 -5.689 0.288 246 HA ALA 33 HA ALA 33 2.703 -4.461 2.145 247 1HB ALA 33 1HB ALA 33 4.166 -4.043 0.249 248 2HB ALA 33 2HB ALA 33 2.848 -4.394 -0.867 249 3HB ALA 33 3HB ALA 33 3.495 -5.672 0.161 250 H ALA 34 H ALA 34 0.524 -3.162 -0.285 251 HA ALA 34 HA ALA 34 1.400 -0.482 -0.162 252 1HB ALA 34 1HB ALA 34 0.099 -1.357 -2.028 253 2HB ALA 34 2HB ALA 34 -0.680 0.055 -1.315 254 3HB ALA 34 3HB ALA 34 -1.296 -1.561 -0.969 255 H GLU 35 H GLU 35 -1.348 -2.125 1.427 256 HA GLU 35 HA GLU 35 -2.277 0.235 2.691 257 1HB GLU 35 2HB GLU 35 -3.796 -1.177 3.908 258 2HB GLU 35 1HB GLU 35 -3.696 -1.761 2.256 259 1HG GLU 35 2HG GLU 35 -2.223 -3.564 2.968 260 2HG GLU 35 1HG GLU 35 -2.280 -2.966 4.626 261 H GLU 36 H GLU 36 -0.072 -2.325 3.666 262 HA GLU 36 HA GLU 36 0.242 -1.640 6.361 263 1HB GLU 36 2HB GLU 36 2.014 -2.993 4.351 264 2HB GLU 36 1HB GLU 36 2.628 -2.617 5.954 265 1HG GLU 36 2HG GLU 36 0.152 -4.246 5.429 266 2HG GLU 36 1HG GLU 36 1.756 -4.923 5.710 267 H ALA 37 H ALA 37 2.026 -0.534 3.502 268 HA ALA 37 HA ALA 37 3.912 1.062 4.829 269 1HB ALA 37 1HB ALA 37 4.146 0.354 2.508 270 2HB ALA 37 2HB ALA 37 4.281 2.107 2.649 271 3HB ALA 37 3HB ALA 37 2.791 1.383 2.042 272 H ILE 38 H ILE 38 0.619 1.747 3.803 273 HA ILE 38 HA ILE 38 0.628 4.525 4.034 274 HB ILE 38 HB ILE 38 -1.626 2.596 4.618 275 1HG1 ILE 38 2HG1 ILE 38 -0.747 2.466 2.324 276 2HG1 ILE 38 1HG1 ILE 38 -2.376 3.136 2.349 277 1HG2 ILE 38 1HG2 ILE 38 -2.093 4.722 5.679 278 2HG2 ILE 38 2HG2 ILE 38 -3.124 4.526 4.260 279 3HG2 ILE 38 3HG2 ILE 38 -1.712 5.580 4.187 280 1HD1 ILE 38 1HD1 ILE 38 -0.994 4.336 0.780 281 2HD1 ILE 38 2HD1 ILE 38 0.191 4.681 2.040 282 3HD1 ILE 38 3HD1 ILE 38 -1.423 5.391 2.127 283 H LYS 39 H LYS 39 -0.005 2.051 6.524 284 HA LYS 39 HA LYS 39 -0.618 3.820 8.619 285 1HB LYS 39 2HB LYS 39 0.853 1.243 9.103 286 2HB LYS 39 1HB LYS 39 -0.385 1.998 10.091 287 1HG LYS 39 2HG LYS 39 -1.963 1.509 8.123 288 2HG LYS 39 1HG LYS 39 -0.693 0.417 7.573 289 1HD LYS 39 2HD LYS 39 -2.313 0.282 10.101 290 2HD LYS 39 1HD LYS 39 -2.164 -0.925 8.825 291 1HE LYS 39 2HE LYS 39 -0.005 -0.109 10.772 292 2HE LYS 39 1HE LYS 39 -0.936 -1.604 10.820 293 1HZ LYS 39 1HZ LYS 39 1.238 -1.959 9.849 294 2HZ LYS 39 2HZ LYS 39 0.934 -0.797 8.659 295 3HZ LYS 39 3HZ LYS 39 0.031 -2.233 8.687 296 H LEU 40 H LEU 40 2.439 2.391 7.569 297 HA LEU 40 HA LEU 40 4.132 3.378 9.522 298 1HB LEU 40 2HB LEU 40 4.459 2.555 6.678 299 2HB LEU 40 1HB LEU 40 5.802 3.334 7.474 300 HG LEU 40 HG LEU 40 5.719 1.571 9.214 301 1HD1 LEU 40 1HD1 LEU 40 3.389 0.902 8.951 302 2HD1 LEU 40 2HD1 LEU 40 4.481 -0.474 8.801 303 3HD1 LEU 40 3HD1 LEU 40 3.761 0.242 7.359 304 1HD2 LEU 40 1HD2 LEU 40 7.303 1.442 7.385 305 2HD2 LEU 40 2HD2 LEU 40 6.099 0.638 6.377 306 3HD2 LEU 40 3HD2 LEU 40 6.730 -0.169 7.813 307 H LEU 41 H LEU 41 3.145 4.879 6.458 308 HA LEU 41 HA LEU 41 4.740 7.192 6.721 309 1HB LEU 41 2HB LEU 41 2.179 6.722 5.203 310 2HB LEU 41 1HB LEU 41 3.141 8.181 5.065 311 HG LEU 41 HG LEU 41 4.110 5.407 4.363 312 1HD1 LEU 41 1HD1 LEU 41 2.385 6.185 2.821 313 2HD1 LEU 41 2HD1 LEU 41 3.971 6.158 2.050 314 3HD1 LEU 41 3HD1 LEU 41 3.276 7.689 2.580 315 1HD2 LEU 41 1HD2 LEU 41 5.360 8.120 3.961 316 2HD2 LEU 41 2HD2 LEU 41 6.002 6.590 3.364 317 3HD2 LEU 41 3HD2 LEU 41 5.899 6.887 5.100 318 H VAL 42 H VAL 42 1.438 6.470 7.735 319 HA VAL 42 HA VAL 42 0.754 9.079 8.586 320 HB VAL 42 HB VAL 42 -0.334 6.414 9.530 321 1HG1 VAL 42 1HG1 VAL 42 -2.264 7.693 10.333 322 2HG1 VAL 42 2HG1 VAL 42 -1.462 9.194 9.873 323 3HG1 VAL 42 3HG1 VAL 42 -0.785 8.192 11.156 324 1HG2 VAL 42 1HG2 VAL 42 -0.635 6.816 7.133 325 2HG2 VAL 42 2HG2 VAL 42 -1.373 8.378 7.486 326 3HG2 VAL 42 3HG2 VAL 42 -2.176 6.890 7.987 327 H ILE 43 H ILE 43 2.097 6.290 10.328 328 HA ILE 43 HA ILE 43 2.066 7.507 12.883 329 HB ILE 43 HB ILE 43 3.817 5.252 11.885 330 1HG1 ILE 43 2HG1 ILE 43 1.195 5.191 13.402 331 2HG1 ILE 43 1HG1 ILE 43 1.393 4.812 11.695 332 1HG2 ILE 43 1HG2 ILE 43 4.735 6.255 13.903 333 2HG2 ILE 43 2HG2 ILE 43 4.070 4.660 14.254 334 3HG2 ILE 43 3HG2 ILE 43 3.171 6.109 14.705 335 1HD1 ILE 43 1HD1 ILE 43 2.832 2.925 12.294 336 2HD1 ILE 43 2HD1 ILE 43 1.224 2.790 13.003 337 3HD1 ILE 43 3HD1 ILE 43 2.588 3.294 14.001 338 H GLU 44 H GLU 44 4.552 7.316 10.364 339 HA GLU 44 HA GLU 44 6.620 8.507 11.881 340 1HB GLU 44 2HB GLU 44 6.163 7.954 8.993 341 2HB GLU 44 1HB GLU 44 7.432 9.094 9.423 342 1HG GLU 44 2HG GLU 44 7.204 6.264 10.426 343 2HG GLU 44 1HG GLU 44 8.291 6.823 9.153 344 H ASN 45 H ASN 45 4.212 9.896 9.665 345 HA ASN 45 HA ASN 45 5.278 12.559 9.980 346 1HB ASN 45 2HB ASN 45 2.842 11.431 8.631 347 2HB ASN 45 1HB ASN 45 2.993 13.162 8.881 348 1HD2 ASN 45 1HD2 ASN 45 5.703 11.041 8.228 349 2HD2 ASN 45 2HD2 ASN 45 6.045 11.659 6.647 350 H ASN 46 H ASN 46 3.043 10.556 11.610 351 HA ASN 46 HA ASN 46 1.636 10.789 13.351 352 1HB ASN 46 2HB ASN 46 3.747 11.590 14.433 353 2HB ASN 46 1HB ASN 46 3.258 13.239 14.059 354 1HD2 ASN 46 1HD2 ASN 46 3.121 13.852 16.196 355 2HD2 ASN 46 2HD2 ASN 46 1.866 13.297 17.247 356 H LEU 47 H LEU 47 0.361 11.500 11.265 357 HA LEU 47 HA LEU 47 -0.639 14.158 11.250 358 1HB LEU 47 2HB LEU 47 -1.807 11.626 10.095 359 2HB LEU 47 1HB LEU 47 -2.389 13.245 9.763 360 HG LEU 47 HG LEU 47 0.333 12.173 9.027 361 1HD1 LEU 47 1HD1 LEU 47 -1.404 11.177 7.679 362 2HD1 LEU 47 2HD1 LEU 47 -0.506 12.355 6.721 363 3HD1 LEU 47 3HD1 LEU 47 -2.101 12.763 7.354 364 1HD2 LEU 47 1HD2 LEU 47 0.556 14.273 7.761 365 2HD2 LEU 47 2HD2 LEU 47 0.424 14.552 9.497 366 3HD2 LEU 47 3HD2 LEU 47 -0.967 14.835 8.453 367 H LYS 48 H LYS 48 -1.541 14.859 13.056 368 HA LYS 48 HA LYS 48 -2.759 13.238 14.981 369 1HB LYS 48 2HB LYS 48 -1.764 15.438 15.486 370 2HB LYS 48 1HB LYS 48 -3.086 16.221 14.625 371 1HG LYS 48 2HG LYS 48 -4.679 15.449 16.221 372 2HG LYS 48 1HG LYS 48 -3.477 14.425 17.005 373 1HD LYS 48 2HD LYS 48 -2.224 16.428 17.670 374 2HD LYS 48 1HD LYS 48 -3.451 17.440 16.903 375 1HE LYS 48 2HE LYS 48 -3.798 17.284 19.319 376 2HE LYS 48 1HE LYS 48 -5.140 16.572 18.425 377 1HZ LYS 48 1HZ LYS 48 -4.620 15.116 20.198 378 2HZ LYS 48 2HZ LYS 48 -2.961 15.148 19.849 379 3HZ LYS 48 3HZ LYS 48 -4.031 14.372 18.790 380 H GLU 49 H GLU 49 -4.135 15.015 12.273 381 HA GLU 49 HA GLU 49 -6.833 14.767 13.043 382 1HB GLU 49 2HB GLU 49 -5.528 15.106 10.360 383 2HB GLU 49 1HB GLU 49 -7.268 15.039 10.557 384 1HG GLU 49 2HG GLU 49 -7.041 16.960 12.172 385 2HG GLU 49 1HG GLU 49 -5.367 17.094 11.638 386 H ILE 50 H ILE 50 -4.599 12.456 11.887 387 HA ILE 50 HA ILE 50 -6.731 10.587 11.136 388 HB ILE 50 HB ILE 50 -3.734 10.346 10.812 389 1HG1 ILE 50 2HG1 ILE 50 -4.731 11.997 9.309 390 2HG1 ILE 50 1HG1 ILE 50 -4.219 10.573 8.407 391 1HG2 ILE 50 1HG2 ILE 50 -4.742 8.161 11.153 392 2HG2 ILE 50 2HG2 ILE 50 -4.224 8.347 9.477 393 3HG2 ILE 50 3HG2 ILE 50 -5.932 8.494 9.893 394 1HD1 ILE 50 1HD1 ILE 50 -6.526 9.785 8.339 395 2HD1 ILE 50 2HD1 ILE 50 -6.374 11.395 7.633 396 3HD1 ILE 50 3HD1 ILE 50 -7.041 11.200 9.254 397 H THR 51 H THR 51 -4.052 11.002 13.434 398 HA THR 51 HA THR 51 -4.288 8.462 14.644 399 HB THR 51 HB THR 51 -3.112 9.572 16.606 400 HG1 THR 51 1HG THR 51 -2.167 11.704 15.599 401 1HG2 THR 51 1HG2 THR 51 -1.890 9.831 13.856 402 2HG2 THR 51 2HG2 THR 51 -1.883 8.385 14.866 403 3HG2 THR 51 3HG2 THR 51 -0.993 9.821 15.374 404 H ASN 52 H ASN 52 -5.874 11.544 15.260 405 HA ASN 52 HA ASN 52 -7.213 10.880 17.631 406 1HB ASN 52 2HB ASN 52 -7.746 12.812 15.408 407 2HB ASN 52 1HB ASN 52 -8.997 12.533 16.615 408 1HD2 ASN 52 1HD2 ASN 52 -7.353 14.910 16.007 409 2HD2 ASN 52 2HD2 ASN 52 -6.606 15.334 17.504 410 H ASN 53 H ASN 53 -7.867 10.053 14.300 411 HA ASN 53 HA ASN 53 -10.512 9.140 14.635 412 1HB ASN 53 2HB ASN 53 -8.388 8.448 12.602 413 2HB ASN 53 1HB ASN 53 -10.040 7.871 12.517 414 1HD2 ASN 53 1HD2 ASN 53 -8.560 9.521 10.664 415 2HD2 ASN 53 2HD2 ASN 53 -9.446 10.996 10.508 416 H VAL 54 H VAL 54 -7.375 7.479 14.654 417 HA VAL 54 HA VAL 54 -8.554 4.902 15.074 418 HB VAL 54 HB VAL 54 -5.654 5.650 15.487 419 1HG1 VAL 54 1HG1 VAL 54 -6.951 3.034 14.727 420 2HG1 VAL 54 2HG1 VAL 54 -6.274 3.435 16.306 421 3HG1 VAL 54 3HG1 VAL 54 -5.219 3.322 14.897 422 1HG2 VAL 54 1HG2 VAL 54 -6.363 6.442 13.299 423 2HG2 VAL 54 2HG2 VAL 54 -7.044 4.859 12.928 424 3HG2 VAL 54 3HG2 VAL 54 -5.300 5.044 13.129 425 H LYS 55 H LYS 55 -7.819 7.505 17.096 426 HA LYS 55 HA LYS 55 -7.477 6.041 19.524 427 1HB LYS 55 2HB LYS 55 -6.817 8.411 19.262 428 2HB LYS 55 1HB LYS 55 -8.506 8.852 19.096 429 1HG LYS 55 2HG LYS 55 -8.949 8.075 21.363 430 2HG LYS 55 1HG LYS 55 -7.255 7.612 21.534 431 1HD LYS 55 2HD LYS 55 -6.544 9.890 21.359 432 2HD LYS 55 1HD LYS 55 -8.173 10.420 20.933 433 1HE LYS 55 2HE LYS 55 -7.388 9.164 23.558 434 2HE LYS 55 1HE LYS 55 -7.589 10.895 23.287 435 1HZ LYS 55 1HZ LYS 55 -9.904 10.487 22.695 436 2HZ LYS 55 2HZ LYS 55 -9.571 9.938 24.265 437 3HZ LYS 55 3HZ LYS 55 -9.710 8.827 22.992 438 H ASN 56 H ASN 56 -10.110 6.961 17.535 439 HA ASN 56 HA ASN 56 -12.085 6.264 19.603 440 1HB ASN 56 2HB ASN 56 -12.437 8.430 18.514 441 2HB ASN 56 1HB ASN 56 -12.444 7.649 16.936 442 1HD2 ASN 56 1HD2 ASN 56 -13.989 6.423 19.861 443 2HD2 ASN 56 2HD2 ASN 56 -15.609 6.559 19.273 444 H LYS 57 H LYS 57 -11.295 5.656 16.211 445 HA LYS 57 HA LYS 57 -13.087 3.453 15.970 446 1HB LYS 57 2HB LYS 57 -10.802 4.315 14.188 447 2HB LYS 57 1HB LYS 57 -12.160 3.303 13.748 448 1HG LYS 57 2HG LYS 57 -13.688 5.103 13.879 449 2HG LYS 57 1HG LYS 57 -12.502 6.129 14.685 450 1HD LYS 57 2HD LYS 57 -12.410 6.955 12.549 451 2HD LYS 57 1HD LYS 57 -11.130 5.745 12.493 452 1HE LYS 57 2HE LYS 57 -12.420 5.502 10.511 453 2HE LYS 57 1HE LYS 57 -12.810 4.141 11.563 454 1HZ LYS 57 1HZ LYS 57 -14.449 6.605 11.478 455 2HZ LYS 57 2HZ LYS 57 -14.866 5.098 12.134 456 3HZ LYS 57 3HZ LYS 57 -14.738 5.289 10.450 457 H GLY 58 H GLY 58 -12.548 1.271 15.888 458 1HA GLY 58 2HA GLY 58 -10.746 0.501 17.880 459 2HA GLY 58 1HA GLY 58 -11.576 -0.587 16.794 460 H ARG 59 H ARG 59 -10.509 -0.189 14.397 461 HA ARG 59 HA ARG 59 -7.625 -0.482 14.718 462 1HB ARG 59 2HB ARG 59 -9.052 -2.684 15.068 463 2HB ARG 59 1HB ARG 59 -9.086 -2.676 13.313 464 1HG ARG 59 2HG ARG 59 -7.290 -4.066 14.015 465 2HG ARG 59 1HG ARG 59 -6.598 -2.593 13.327 466 1HD ARG 59 2HD ARG 59 -6.133 -1.712 15.496 467 2HD ARG 59 1HD ARG 59 -7.052 -2.999 16.277 468 HE ARG 59 HE ARG 59 -4.802 -3.895 14.682 469 1HH1 ARG 59 1HH1 ARG 59 -5.949 -2.940 17.861 470 2HH1 ARG 59 2HH1 ARG 59 -4.661 -3.740 18.708 471 1HH2 ARG 59 1HH2 ARG 59 -3.109 -4.970 15.816 472 2HH2 ARG 59 2HH2 ARG 59 -3.065 -4.894 17.557 473 H TRP 60 H TRP 60 -6.600 -0.959 12.568 474 HA TRP 60 HA TRP 60 -7.652 0.757 10.515 475 1HB TRP 60 2HB TRP 60 -5.273 -1.107 10.396 476 2HB TRP 60 1HB TRP 60 -5.632 0.197 9.276 477 HD1 TRP 60 HD TRP 60 -4.437 -0.373 12.892 478 HE1 TRP 60 1HE TRP 60 -3.162 1.726 13.664 479 HE3 TRP 60 3HE TRP 60 -5.341 2.643 8.862 480 HZ2 TRP 60 2HZ TRP 60 -2.608 4.316 12.682 481 HZ3 TRP 60 3HZ TRP 60 -4.397 4.917 8.855 482 HH2 TRP 60 HH TRP 60 -3.058 5.733 10.727 483 H LYS 61 H LYS 61 -9.154 0.073 9.133 484 HA LYS 61 HA LYS 61 -9.112 -2.751 8.329 485 1HB LYS 61 2HB LYS 61 -11.309 -1.052 9.225 486 2HB LYS 61 1HB LYS 61 -11.643 -1.852 7.696 487 1HG LYS 61 2HG LYS 61 -12.469 -3.181 9.526 488 2HG LYS 61 1HG LYS 61 -11.136 -4.018 8.735 489 1HD LYS 61 2HD LYS 61 -9.624 -3.151 10.510 490 2HD LYS 61 1HD LYS 61 -11.040 -2.487 11.329 491 1HE LYS 61 2HE LYS 61 -10.502 -4.603 12.326 492 2HE LYS 61 1HE LYS 61 -11.996 -4.776 11.408 493 1HZ LYS 61 1HZ LYS 61 -10.579 -6.651 10.999 494 2HZ LYS 61 2HZ LYS 61 -9.287 -5.654 10.554 495 3HZ LYS 61 3HZ LYS 61 -10.671 -5.732 9.578 496 H SER 62 H SER 62 -10.544 0.244 7.149 497 HA SER 62 HA SER 62 -9.092 0.115 4.667 498 1HB SER 62 2HB SER 62 -11.251 0.010 3.319 499 2HB SER 62 1HB SER 62 -10.765 -1.498 4.097 500 HG SER 62 HG SER 62 -12.544 -1.451 5.210 501 H GLU 63 H GLU 63 -11.977 1.424 6.245 502 HA GLU 63 HA GLU 63 -12.211 3.827 4.919 503 1HB GLU 63 2HB GLU 63 -13.810 2.825 6.579 504 2HB GLU 63 1HB GLU 63 -12.755 3.401 7.859 505 1HG GLU 63 2HG GLU 63 -13.120 5.699 7.147 506 2HG GLU 63 1HG GLU 63 -14.148 5.133 5.830 507 H ASN 64 H ASN 64 -10.285 3.119 7.824 508 HA ASN 64 HA ASN 64 -9.293 5.690 8.262 509 1HB ASN 64 2HB ASN 64 -8.234 2.950 8.917 510 2HB ASN 64 1HB ASN 64 -7.353 4.403 9.348 511 1HD2 ASN 64 1HD2 ASN 64 -8.467 2.412 11.104 512 2HD2 ASN 64 2HD2 ASN 64 -9.596 3.232 12.124 513 H LEU 65 H LEU 65 -8.194 3.112 6.147 514 HA LEU 65 HA LEU 65 -5.672 4.319 5.554 515 1HB LEU 65 2HB LEU 65 -7.194 2.118 4.159 516 2HB LEU 65 1HB LEU 65 -5.542 2.578 3.790 517 HG LEU 65 HG LEU 65 -6.459 1.526 6.467 518 1HD1 LEU 65 1HD1 LEU 65 -6.671 -0.170 4.716 519 2HD1 LEU 65 2HD1 LEU 65 -5.360 -0.551 5.831 520 3HD1 LEU 65 3HD1 LEU 65 -4.997 0.115 4.239 521 1HD2 LEU 65 1HD2 LEU 65 -4.055 1.264 6.880 522 2HD2 LEU 65 2HD2 LEU 65 -4.495 2.949 6.609 523 3HD2 LEU 65 3HD2 LEU 65 -3.713 2.024 5.327 524 H PHE 66 H PHE 66 -8.808 4.140 3.931 525 HA PHE 66 HA PHE 66 -7.994 5.404 1.539 526 1HB PHE 66 2HB PHE 66 -10.102 4.043 1.911 527 2HB PHE 66 1HB PHE 66 -10.770 5.449 2.730 528 HD1 PHE 66 2HD PHE 66 -11.393 7.438 1.483 529 HD2 PHE 66 1HD PHE 66 -9.782 4.022 -0.475 530 HE1 PHE 66 2HE PHE 66 -12.136 8.334 -0.684 531 HE2 PHE 66 1HE PHE 66 -10.528 4.907 -2.646 532 HZ PHE 66 HZ PHE 66 -11.704 7.068 -2.753 533 H LYS 67 H LYS 67 -9.252 6.610 4.598 534 HA LYS 67 HA LYS 67 -9.547 9.317 3.739 535 1HB LYS 67 2HB LYS 67 -10.534 8.032 5.808 536 2HB LYS 67 1HB LYS 67 -9.064 8.568 6.591 537 1HG LYS 67 2HG LYS 67 -9.605 10.868 6.201 538 2HG LYS 67 1HG LYS 67 -11.012 10.417 5.236 539 1HD LYS 67 2HD LYS 67 -12.014 9.372 7.224 540 2HD LYS 67 1HD LYS 67 -10.615 9.870 8.179 541 1HE LYS 67 2HE LYS 67 -12.511 11.399 8.469 542 2HE LYS 67 1HE LYS 67 -11.121 12.206 7.746 543 1HZ LYS 67 1HZ LYS 67 -12.154 12.043 5.589 544 2HZ LYS 67 2HZ LYS 67 -13.216 12.805 6.663 545 3HZ LYS 67 3HZ LYS 67 -13.467 11.180 6.232 546 H ALA 68 H ALA 68 -7.117 7.526 5.541 547 HA ALA 68 HA ALA 68 -5.316 9.621 6.014 548 1HB ALA 68 1HB ALA 68 -5.159 7.439 7.116 549 2HB ALA 68 2HB ALA 68 -3.630 7.903 6.371 550 3HB ALA 68 3HB ALA 68 -4.664 6.706 5.591 551 H SER 69 H SER 69 -5.883 7.708 3.148 552 HA SER 69 HA SER 69 -3.500 8.383 1.772 553 1HB SER 69 2HB SER 69 -4.870 6.449 1.136 554 2HB SER 69 1HB SER 69 -6.184 7.528 0.669 555 HG SER 69 HG SER 69 -3.985 8.342 -0.567 556 H LYS 70 H LYS 70 -6.534 10.005 2.230 557 HA LYS 70 HA LYS 70 -6.372 11.912 0.164 558 1HB LYS 70 2HB LYS 70 -8.259 11.371 1.928 559 2HB LYS 70 1HB LYS 70 -7.451 12.604 2.874 560 1HG LYS 70 2HG LYS 70 -8.395 13.095 0.068 561 2HG LYS 70 1HG LYS 70 -9.418 13.353 1.481 562 1HD LYS 70 2HD LYS 70 -7.859 14.977 2.360 563 2HD LYS 70 1HD LYS 70 -6.735 14.658 1.037 564 1HE LYS 70 2HE LYS 70 -8.353 15.502 -0.565 565 2HE LYS 70 1HE LYS 70 -9.526 15.760 0.727 566 1HZ LYS 70 1HZ LYS 70 -8.033 17.375 1.716 567 2HZ LYS 70 2HZ LYS 70 -8.410 17.812 0.124 568 3HZ LYS 70 3HZ LYS 70 -6.896 17.127 0.479 569 H LEU 71 H LEU 71 -5.178 11.828 3.460 570 HA LEU 71 HA LEU 71 -3.608 14.239 3.125 571 1HB LEU 71 2HB LEU 71 -3.728 12.236 5.389 572 2HB LEU 71 1HB LEU 71 -2.837 13.746 5.429 573 HG LEU 71 HG LEU 71 -5.837 13.460 5.243 574 1HD1 LEU 71 1HD1 LEU 71 -5.803 14.525 7.454 575 2HD1 LEU 71 2HD1 LEU 71 -4.041 14.456 7.448 576 3HD1 LEU 71 3HD1 LEU 71 -4.981 12.964 7.455 577 1HD2 LEU 71 1HD2 LEU 71 -5.906 15.886 5.396 578 2HD2 LEU 71 2HD2 LEU 71 -5.010 15.383 3.962 579 3HD2 LEU 71 3HD2 LEU 71 -4.142 15.950 5.388 580 H LEU 72 H LEU 72 -1.336 13.171 4.695 581 HA LEU 72 HA LEU 72 0.734 12.315 4.360 582 1HB LEU 72 2HB LEU 72 -0.714 10.462 2.470 583 2HB LEU 72 1HB LEU 72 0.987 10.316 2.866 584 HG LEU 72 HG LEU 72 -1.280 10.081 4.847 585 1HD1 LEU 72 1HD1 LEU 72 0.501 7.962 3.650 586 2HD1 LEU 72 2HD1 LEU 72 -1.205 8.209 3.275 587 3HD1 LEU 72 3HD1 LEU 72 -0.722 7.713 4.897 588 1HD2 LEU 72 1HD2 LEU 72 0.468 9.288 6.376 589 2HD2 LEU 72 2HD2 LEU 72 0.747 10.954 5.866 590 3HD2 LEU 72 3HD2 LEU 72 1.688 9.643 5.152 591 H ARG 73 H ARG 73 -0.748 14.253 2.461 592 HA ARG 73 HA ARG 73 0.675 14.227 0.009 593 1HB ARG 73 2HB ARG 73 -1.502 15.353 0.331 594 2HB ARG 73 1HB ARG 73 -0.752 16.488 1.437 595 1HG ARG 73 2HG ARG 73 0.356 16.305 -1.308 596 2HG ARG 73 1HG ARG 73 -1.217 17.075 -1.097 597 1HD ARG 73 2HD ARG 73 -0.161 18.499 0.682 598 2HD ARG 73 1HD ARG 73 1.396 17.835 0.192 599 HE ARG 73 HE ARG 73 0.643 18.764 -2.124 600 1HH1 ARG 73 1HH1 ARG 73 0.065 20.200 1.010 601 2HH1 ARG 73 2HH1 ARG 73 0.077 21.836 0.420 602 1HH2 ARG 73 1HH2 ARG 73 0.686 20.912 -2.926 603 2HH2 ARG 73 2HH2 ARG 73 0.443 22.245 -1.834 604 H SER 74 H SER 74 1.438 15.160 3.195 605 HA SER 74 HA SER 74 3.542 16.986 2.704 606 1HB SER 74 2HB SER 74 4.274 16.125 5.046 607 2HB SER 74 1HB SER 74 2.731 16.970 4.907 608 HG SER 74 HG SER 74 3.241 14.397 5.650 609 H ASN 75 H ASN 75 3.276 13.532 2.562 610 HA ASN 75 HA ASN 75 6.125 13.124 2.316 611 1HB ASN 75 2HB ASN 75 3.709 11.326 2.237 612 2HB ASN 75 1HB ASN 75 5.298 10.748 1.775 613 1HD2 ASN 75 1HD2 ASN 75 3.501 10.045 4.017 614 2HD2 ASN 75 2HD2 ASN 75 4.453 10.242 5.445 615 H ASN 76 H ASN 76 3.214 12.748 0.301 616 HA ASN 76 HA ASN 76 4.493 13.859 -1.983 617 1HB ASN 76 2HB ASN 76 5.495 11.587 -2.038 618 2HB ASN 76 1HB ASN 76 3.878 10.895 -2.108 619 1HD2 ASN 76 1HD2 ASN 76 6.245 12.813 -3.822 620 2HD2 ASN 76 2HD2 ASN 76 5.563 12.598 -5.399 621 H THR 77 H THR 77 3.000 14.310 -3.649 622 HA THR 77 HA THR 77 0.328 14.576 -2.603 623 HB THR 77 HB THR 77 1.521 16.416 -3.797 624 HG1 THR 77 1HG THR 77 -1.050 15.638 -4.098 625 1HG2 THR 77 1HG2 THR 77 1.594 16.402 -6.239 626 2HG2 THR 77 2HG2 THR 77 0.966 14.755 -6.256 627 3HG2 THR 77 3HG2 THR 77 2.557 15.083 -5.572 628 H GLU 78 H GLU 78 1.895 12.329 -4.666 629 HA GLU 78 HA GLU 78 -0.459 11.735 -6.236 630 1HB GLU 78 2HB GLU 78 2.270 10.473 -6.126 631 2HB GLU 78 1HB GLU 78 1.003 10.012 -7.241 632 1HG GLU 78 2HG GLU 78 1.014 12.307 -8.154 633 2HG GLU 78 1HG GLU 78 2.358 12.688 -7.080 634 H ILE 79 H ILE 79 0.507 10.937 -3.191 635 HA ILE 79 HA ILE 79 0.266 8.221 -2.884 636 HB ILE 79 HB ILE 79 -0.686 10.368 -0.989 637 1HG1 ILE 79 2HG1 ILE 79 1.699 10.471 -1.496 638 2HG1 ILE 79 1HG1 ILE 79 1.456 9.912 0.153 639 1HG2 ILE 79 1HG2 ILE 79 -0.250 7.430 -0.463 640 2HG2 ILE 79 2HG2 ILE 79 -1.796 8.278 -0.445 641 3HG2 ILE 79 3HG2 ILE 79 -0.572 8.654 0.767 642 1HD1 ILE 79 1HD1 ILE 79 1.879 7.623 -0.550 643 2HD1 ILE 79 2HD1 ILE 79 3.230 8.680 -0.962 644 3HD1 ILE 79 3HD1 ILE 79 2.096 8.166 -2.213 645 HA PRO 80 HA PRO 80 -4.614 8.604 -2.342 646 1HB PRO 80 2HB PRO 80 -5.629 10.715 -3.842 647 2HB PRO 80 1HB PRO 80 -5.468 10.691 -2.086 648 1HG PRO 80 2HG PRO 80 -3.675 11.907 -4.139 649 2HG PRO 80 1HG PRO 80 -4.132 12.523 -2.538 650 1HD PRO 80 2HD PRO 80 -1.738 11.409 -2.967 651 2HD PRO 80 1HD PRO 80 -2.615 11.148 -1.444 652 H ILE 81 H ILE 81 -2.874 9.615 -5.207 653 HA ILE 81 HA ILE 81 -4.759 8.490 -7.065 654 HB ILE 81 HB ILE 81 -1.897 9.331 -7.579 655 1HG1 ILE 81 2HG1 ILE 81 -4.436 10.952 -7.862 656 2HG1 ILE 81 1HG1 ILE 81 -3.254 11.156 -6.579 657 1HG2 ILE 81 1HG2 ILE 81 -2.867 7.929 -9.334 658 2HG2 ILE 81 2HG2 ILE 81 -2.613 9.580 -9.894 659 3HG2 ILE 81 3HG2 ILE 81 -4.235 9.035 -9.467 660 1HD1 ILE 81 1HD1 ILE 81 -2.763 11.598 -9.510 661 2HD1 ILE 81 2HD1 ILE 81 -1.573 11.795 -8.225 662 3HD1 ILE 81 3HD1 ILE 81 -2.987 12.849 -8.288 663 H LEU 82 H LEU 82 -1.898 7.453 -5.394 664 HA LEU 82 HA LEU 82 -1.522 5.083 -6.984 665 1HB LEU 82 2HB LEU 82 -0.358 5.799 -4.293 666 2HB LEU 82 1HB LEU 82 0.212 4.534 -5.365 667 HG LEU 82 HG LEU 82 0.279 7.491 -5.984 668 1HD1 LEU 82 1HD1 LEU 82 1.845 6.939 -4.223 669 2HD1 LEU 82 2HD1 LEU 82 2.703 7.274 -5.726 670 3HD1 LEU 82 3HD1 LEU 82 2.489 5.609 -5.183 671 1HD2 LEU 82 1HD2 LEU 82 1.667 6.819 -7.887 672 2HD2 LEU 82 2HD2 LEU 82 0.045 6.136 -7.984 673 3HD2 LEU 82 3HD2 LEU 82 1.399 5.124 -7.479 674 H TRP 83 H TRP 83 -2.850 5.864 -3.789 675 HA TRP 83 HA TRP 83 -3.631 3.235 -3.081 676 1HB TRP 83 2HB TRP 83 -3.555 5.170 -1.509 677 2HB TRP 83 1HB TRP 83 -4.966 5.846 -2.316 678 HD1 TRP 83 HD TRP 83 -7.235 5.190 -1.296 679 HE1 TRP 83 1HE TRP 83 -8.056 3.380 0.340 680 HE3 TRP 83 3HE TRP 83 -2.908 2.513 -0.799 681 HZ2 TRP 83 2HZ TRP 83 -7.007 1.121 1.656 682 HZ3 TRP 83 3HZ TRP 83 -2.908 0.550 0.642 683 HH2 TRP 83 HH TRP 83 -4.911 -0.141 1.856 684 H LYS 84 H LYS 84 -5.103 5.765 -5.019 685 HA LYS 84 HA LYS 84 -7.628 4.805 -5.532 686 1HB LYS 84 2HB LYS 84 -6.805 6.903 -6.446 687 2HB LYS 84 1HB LYS 84 -5.647 6.053 -7.448 688 1HG LYS 84 2HG LYS 84 -7.387 6.695 -8.877 689 2HG LYS 84 1HG LYS 84 -7.617 4.969 -8.594 690 1HD LYS 84 2HD LYS 84 -9.352 5.443 -6.966 691 2HD LYS 84 1HD LYS 84 -9.085 7.179 -7.157 692 1HE LYS 84 2HE LYS 84 -9.650 6.899 -9.588 693 2HE LYS 84 1HE LYS 84 -10.127 5.244 -9.221 694 1HZ LYS 84 1HZ LYS 84 -11.328 7.695 -8.048 695 2HZ LYS 84 2HZ LYS 84 -11.795 6.101 -7.695 696 3HZ LYS 84 3HZ LYS 84 -12.021 6.727 -9.254 697 H SER 85 H SER 85 -4.592 3.878 -7.093 698 HA SER 85 HA SER 85 -5.627 2.009 -8.896 699 1HB SER 85 2HB SER 85 -2.918 1.993 -7.539 700 2HB SER 85 1HB SER 85 -3.339 1.129 -9.017 701 HG SER 85 HG SER 85 -2.264 3.363 -9.070 702 H ALA 86 H ALA 86 -4.495 1.621 -5.562 703 HA ALA 86 HA ALA 86 -4.789 -1.181 -5.408 704 1HB ALA 86 1HB ALA 86 -4.912 0.889 -3.213 705 2HB ALA 86 2HB ALA 86 -3.466 0.060 -3.790 706 3HB ALA 86 3HB ALA 86 -4.734 -0.849 -2.971 707 H TRP 87 H TRP 87 -7.003 1.494 -4.847 708 HA TRP 87 HA TRP 87 -9.138 -0.128 -3.878 709 1HB TRP 87 2HB TRP 87 -9.039 2.277 -3.393 710 2HB TRP 87 1HB TRP 87 -9.206 2.636 -5.104 711 HD1 TRP 87 HD TRP 87 -11.562 3.143 -5.854 712 HE1 TRP 87 1HE TRP 87 -13.943 2.676 -4.986 713 HE3 TRP 87 3HE TRP 87 -10.371 0.266 -1.808 714 HZ2 TRP 87 2HZ TRP 87 -15.142 1.266 -2.857 715 HZ3 TRP 87 3HZ TRP 87 -12.195 -0.608 -0.405 716 HH2 TRP 87 HH TRP 87 -14.530 -0.115 -0.920 717 H THR 88 H THR 88 -8.111 0.981 -7.038 718 HA THR 88 HA THR 88 -10.390 0.408 -8.541 719 HB THR 88 HB THR 88 -7.500 0.169 -9.424 720 HG1 THR 88 1HG THR 88 -8.264 2.259 -8.524 721 1HG2 THR 88 1HG2 THR 88 -10.037 0.539 -11.024 722 2HG2 THR 88 2HG2 THR 88 -8.994 -0.885 -11.023 723 3HG2 THR 88 3HG2 THR 88 -8.406 0.646 -11.676 724 H LEU 89 H LEU 89 -7.776 -1.689 -7.451 725 HA LEU 89 HA LEU 89 -8.422 -3.993 -8.923 726 1HB LEU 89 2HB LEU 89 -7.221 -3.803 -6.159 727 2HB LEU 89 1HB LEU 89 -7.191 -5.223 -7.184 728 HG LEU 89 HG LEU 89 -5.811 -2.599 -7.770 729 1HD1 LEU 89 1HD1 LEU 89 -4.754 -3.828 -5.958 730 2HD1 LEU 89 2HD1 LEU 89 -3.758 -3.892 -7.413 731 3HD1 LEU 89 3HD1 LEU 89 -4.726 -5.291 -6.944 732 1HD2 LEU 89 1HD2 LEU 89 -5.761 -5.215 -9.272 733 2HD2 LEU 89 2HD2 LEU 89 -4.800 -3.784 -9.646 734 3HD2 LEU 89 3HD2 LEU 89 -6.557 -3.735 -9.806 735 H HIS 90 H HIS 90 -9.933 -2.550 -6.175 736 HA HIS 90 HA HIS 90 -11.360 -4.960 -5.422 737 1HB HIS 90 2HB HIS 90 -11.374 -2.133 -4.367 738 2HB HIS 90 1HB HIS 90 -12.499 -3.360 -3.791 739 HD1 HIS 90 1HD HIS 90 -8.863 -2.409 -3.710 740 HD2 HIS 90 2HD HIS 90 -11.403 -5.294 -2.116 741 HE1 HIS 90 1HE HIS 90 -7.529 -3.583 -1.933 742 HE2 HIS 90 2HE HIS 90 -9.086 -5.315 -0.962 743 H VAL 91 H VAL 91 -11.922 -1.997 -7.190 744 HA VAL 91 HA VAL 91 -14.753 -2.182 -7.320 745 HB VAL 91 HB VAL 91 -12.917 -0.820 -9.301 746 1HG1 VAL 91 1HG1 VAL 91 -14.854 0.617 -9.743 747 2HG1 VAL 91 2HG1 VAL 91 -15.818 -0.346 -8.623 748 3HG1 VAL 91 3HG1 VAL 91 -15.199 -1.075 -10.106 749 1HG2 VAL 91 1HG2 VAL 91 -13.204 1.204 -7.973 750 2HG2 VAL 91 2HG2 VAL 91 -12.452 -0.069 -7.012 751 3HG2 VAL 91 3HG2 VAL 91 -14.160 0.310 -6.793 752 H GLU 92 H GLU 92 -12.262 -2.863 -9.777 753 HA GLU 92 HA GLU 92 -14.175 -4.567 -11.189 754 1HB GLU 92 2HB GLU 92 -11.549 -3.333 -11.957 755 2HB GLU 92 1HB GLU 92 -12.222 -4.667 -12.884 756 1HG GLU 92 2HG GLU 92 -13.542 -2.008 -12.384 757 2HG GLU 92 1HG GLU 92 -12.793 -2.537 -13.890 758 H GLY 93 H GLY 93 -13.251 -5.433 -8.717 759 1HA GLY 93 2HA GLY 93 -12.218 -8.017 -9.539 760 2HA GLY 93 1HA GLY 93 -11.256 -7.137 -8.354 761 H PHE 94 H PHE 94 -11.582 -8.285 -6.544 762 HA PHE 94 HA PHE 94 -12.548 -8.801 -4.565 763 1HB PHE 94 2HB PHE 94 -13.712 -6.652 -4.702 764 2HB PHE 94 1HB PHE 94 -14.986 -7.392 -5.662 765 HD1 PHE 94 2HD PHE 94 -13.427 -7.299 -2.325 766 HD2 PHE 94 1HD PHE 94 -16.754 -8.586 -4.641 767 HE1 PHE 94 2HE PHE 94 -14.643 -7.849 -0.261 768 HE2 PHE 94 1HE PHE 94 -17.984 -9.133 -2.578 769 HZ PHE 94 HZ PHE 94 -16.926 -8.765 -0.385 770 H HIS 95 H HIS 95 -14.922 -9.255 -7.184 771 HA HIS 95 HA HIS 95 -15.956 -11.635 -5.926 772 1HB HIS 95 2HB HIS 95 -17.408 -10.087 -7.193 773 2HB HIS 95 1HB HIS 95 -16.532 -10.487 -8.664 774 HD1 HIS 95 1HD HIS 95 -19.018 -11.912 -6.227 775 HD2 HIS 95 2HD HIS 95 -17.256 -12.898 -9.861 776 HE1 HIS 95 1HE HIS 95 -20.358 -13.841 -7.134 777 HE2 HIS 95 2HE HIS 95 -19.326 -14.361 -9.376 778 H GLU 96 H GLU 96 -15.054 -11.393 -9.350 779 HA GLU 96 HA GLU 96 -13.059 -13.473 -9.106 780 1HB GLU 96 2HB GLU 96 -15.312 -14.643 -9.111 781 2HB GLU 96 1HB GLU 96 -15.538 -14.034 -10.743 782 1HG GLU 96 2HG GLU 96 -13.486 -15.234 -11.427 783 2HG GLU 96 1HG GLU 96 -13.386 -15.915 -9.804 784 H LEU 97 H LEU 97 -13.369 -10.711 -10.084 785 HA LEU 97 HA LEU 97 -13.188 -10.838 -12.943 786 1HB LEU 97 2HB LEU 97 -12.741 -8.563 -11.009 787 2HB LEU 97 1HB LEU 97 -12.634 -8.407 -12.750 788 HG LEU 97 HG LEU 97 -14.752 -7.567 -12.190 789 1HD1 LEU 97 1HD1 LEU 97 -15.155 -10.427 -13.029 790 2HD1 LEU 97 2HD1 LEU 97 -14.844 -9.052 -14.089 791 3HD1 LEU 97 3HD1 LEU 97 -16.346 -9.134 -13.170 792 1HD2 LEU 97 1HD2 LEU 97 -14.890 -8.339 -9.908 793 2HD2 LEU 97 2HD2 LEU 97 -15.159 -9.995 -10.454 794 3HD2 LEU 97 3HD2 LEU 97 -16.369 -8.751 -10.775 795 H SER 98 H SER 98 -11.483 -11.725 -13.748 796 HA SER 98 HA SER 98 -9.060 -12.088 -12.324 797 1HB SER 98 2HB SER 98 -10.035 -13.682 -14.004 798 2HB SER 98 1HB SER 98 -9.527 -12.564 -15.268 799 HG SER 98 HG SER 98 -7.361 -12.790 -14.218 800 H LEU 99 H LEU 99 -10.138 -9.502 -14.253 801 HA LEU 99 HA LEU 99 -9.157 -7.585 -14.981 802 1HB LEU 99 2HB LEU 99 -6.960 -8.550 -13.157 803 2HB LEU 99 1HB LEU 99 -6.904 -7.006 -13.984 804 HG LEU 99 HG LEU 99 -9.092 -7.787 -12.056 805 1HD1 LEU 99 1HD1 LEU 99 -6.929 -7.714 -10.914 806 2HD1 LEU 99 2HD1 LEU 99 -7.960 -6.366 -10.434 807 3HD1 LEU 99 3HD1 LEU 99 -6.637 -6.105 -11.571 808 1HD2 LEU 99 1HD2 LEU 99 -8.276 -5.123 -13.216 809 2HD2 LEU 99 2HD2 LEU 99 -9.574 -5.394 -12.054 810 3HD2 LEU 99 3HD2 LEU 99 -9.696 -6.058 -13.683 811 H ASN 100 H ASN 100 -6.667 -6.866 -15.777 812 HA ASN 100 HA ASN 100 -5.748 -8.956 -17.620 813 1HB ASN 100 2HB ASN 100 -6.133 -6.079 -18.459 814 2HB ASN 100 1HB ASN 100 -5.633 -7.421 -19.475 815 1HD2 ASN 100 1HD2 ASN 100 -7.150 -8.920 -20.162 816 2HD2 ASN 100 2HD2 ASN 100 -8.855 -8.614 -20.072 817 H GLU 101 H GLU 101 -3.581 -8.792 -18.209 818 HA GLU 101 HA GLU 101 -2.014 -8.277 -15.945 819 1HB GLU 101 2HB GLU 101 -1.607 -10.015 -17.680 820 2HB GLU 101 1HB GLU 101 -1.053 -8.752 -18.764 821 1HG GLU 101 2HG GLU 101 0.733 -8.196 -17.169 822 2HG GLU 101 1HG GLU 101 0.201 -9.528 -16.142 823 H LYS 102 H LYS 102 -2.200 -6.480 -19.001 824 HA LYS 102 HA LYS 102 0.097 -4.987 -18.795 825 1HB LYS 102 2HB LYS 102 -1.372 -5.144 -20.780 826 2HB LYS 102 1HB LYS 102 -2.540 -4.109 -19.977 827 1HG LYS 102 2HG LYS 102 -0.970 -2.305 -19.928 828 2HG LYS 102 1HG LYS 102 0.281 -3.324 -20.630 829 1HD LYS 102 2HD LYS 102 -0.649 -1.909 -22.353 830 2HD LYS 102 1HD LYS 102 -1.120 -3.581 -22.655 831 1HE LYS 102 2HE LYS 102 -3.321 -3.162 -21.733 832 2HE LYS 102 1HE LYS 102 -2.855 -1.516 -21.303 833 1HZ LYS 102 1HZ LYS 102 -4.172 -1.691 -23.386 834 2HZ LYS 102 2HZ LYS 102 -2.888 -2.549 -24.088 835 3HZ LYS 102 3HZ LYS 102 -2.664 -0.946 -23.597 836 H GLU 103 H GLU 103 -3.145 -4.112 -17.662 837 HA GLU 103 HA GLU 103 -2.223 -1.638 -16.536 838 1HB GLU 103 2HB GLU 103 -4.878 -3.060 -16.534 839 2HB GLU 103 1HB GLU 103 -4.615 -1.519 -15.733 840 1HG GLU 103 2HG GLU 103 -4.255 -0.392 -17.729 841 2HG GLU 103 1HG GLU 103 -3.903 -1.876 -18.610 842 H VAL 104 H VAL 104 -2.581 -4.883 -15.400 843 HA VAL 104 HA VAL 104 -2.737 -4.227 -12.613 844 HB VAL 104 HB VAL 104 -1.983 -6.803 -14.014 845 1HG1 VAL 104 1HG1 VAL 104 -2.170 -7.899 -11.831 846 2HG1 VAL 104 2HG1 VAL 104 -2.407 -6.333 -11.059 847 3HG1 VAL 104 3HG1 VAL 104 -0.866 -6.710 -11.830 848 1HG2 VAL 104 1HG2 VAL 104 -4.168 -7.559 -13.216 849 2HG2 VAL 104 2HG2 VAL 104 -4.323 -6.131 -14.238 850 3HG2 VAL 104 3HG2 VAL 104 -4.451 -5.980 -12.486 851 H LYS 105 H LYS 105 -0.159 -4.797 -14.919 852 HA LYS 105 HA LYS 105 1.977 -5.047 -13.121 853 1HB LYS 105 2HB LYS 105 1.808 -4.145 -15.978 854 2HB LYS 105 1HB LYS 105 3.337 -4.113 -15.111 855 1HG LYS 105 2HG LYS 105 3.115 -6.516 -14.659 856 2HG LYS 105 1HG LYS 105 1.611 -6.535 -15.580 857 1HD LYS 105 2HD LYS 105 2.757 -5.970 -17.598 858 2HD LYS 105 1HD LYS 105 4.254 -5.647 -16.720 859 1HE LYS 105 2HE LYS 105 4.445 -7.982 -16.113 860 2HE LYS 105 1HE LYS 105 2.892 -8.334 -16.871 861 1HZ LYS 105 1HZ LYS 105 5.247 -7.277 -18.339 862 2HZ LYS 105 2HZ LYS 105 3.795 -7.846 -19.002 863 3HZ LYS 105 3HZ LYS 105 4.857 -8.926 -18.236 864 H LYS 106 H LYS 106 0.270 -2.222 -14.257 865 HA LYS 106 HA LYS 106 2.060 -0.238 -13.427 866 1HB LYS 106 2HB LYS 106 0.227 0.504 -14.695 867 2HB LYS 106 1HB LYS 106 -0.937 -0.314 -13.662 868 1HG LYS 106 2HG LYS 106 -0.533 1.279 -11.892 869 2HG LYS 106 1HG LYS 106 0.725 2.060 -12.845 870 1HD LYS 106 2HD LYS 106 -0.808 2.952 -14.360 871 2HD LYS 106 1HD LYS 106 -2.075 1.819 -13.885 872 1HE LYS 106 2HE LYS 106 -2.419 4.152 -13.066 873 2HE LYS 106 1HE LYS 106 -2.393 2.927 -11.799 874 1HZ LYS 106 1HZ LYS 106 -0.091 4.670 -12.525 875 2HZ LYS 106 2HZ LYS 106 -0.142 3.552 -11.248 876 3HZ LYS 106 3HZ LYS 106 -1.136 4.925 -11.214 877 H LEU 107 H LEU 107 -0.311 -2.113 -11.624 878 HA LEU 107 HA LEU 107 -0.286 -0.685 -9.222 879 1HB LEU 107 2HB LEU 107 -1.024 -3.426 -10.049 880 2HB LEU 107 1HB LEU 107 -0.698 -3.199 -8.342 881 HG LEU 107 HG LEU 107 -3.083 -3.004 -8.833 882 1HD1 LEU 107 1HD1 LEU 107 -2.179 -1.768 -6.959 883 2HD1 LEU 107 2HD1 LEU 107 -3.470 -0.846 -7.732 884 3HD1 LEU 107 3HD1 LEU 107 -1.785 -0.412 -8.016 885 1HD2 LEU 107 1HD2 LEU 107 -2.293 -0.642 -10.539 886 2HD2 LEU 107 2HD2 LEU 107 -3.942 -1.120 -10.131 887 3HD2 LEU 107 3HD2 LEU 107 -2.938 -2.176 -11.127 888 H LYS 108 H LYS 108 1.919 -3.076 -10.492 889 HA LYS 108 HA LYS 108 3.305 -3.779 -8.179 890 1HB LYS 108 2HB LYS 108 3.555 -4.840 -10.428 891 2HB LYS 108 1HB LYS 108 4.467 -3.432 -10.950 892 1HG LYS 108 2HG LYS 108 6.113 -3.910 -9.156 893 2HG LYS 108 1HG LYS 108 5.235 -5.403 -8.815 894 1HD LYS 108 2HD LYS 108 5.559 -5.933 -11.302 895 2HD LYS 108 1HD LYS 108 6.757 -4.637 -11.289 896 1HE LYS 108 2HE LYS 108 6.773 -7.134 -9.601 897 2HE LYS 108 1HE LYS 108 7.853 -6.759 -10.943 898 1HZ LYS 108 1HZ LYS 108 8.800 -6.384 -8.691 899 2HZ LYS 108 2HZ LYS 108 7.690 -5.129 -8.476 900 3HZ LYS 108 3HZ LYS 108 8.853 -5.025 -9.704 901 H GLU 109 H GLU 109 3.760 -1.049 -10.379 902 HA GLU 109 HA GLU 109 6.054 -0.087 -8.913 903 1HB GLU 109 2HB GLU 109 4.506 1.272 -11.125 904 2HB GLU 109 1HB GLU 109 6.096 1.728 -10.525 905 1HG GLU 109 2HG GLU 109 6.891 -0.552 -11.219 906 2HG GLU 109 1HG GLU 109 5.342 -0.752 -12.035 907 H ASP 110 H ASP 110 2.642 0.756 -9.252 908 HA ASP 110 HA ASP 110 2.617 3.114 -7.750 909 1HB ASP 110 2HB ASP 110 0.554 0.974 -8.231 910 2HB ASP 110 1HB ASP 110 0.212 2.309 -7.141 911 H VAL 111 H VAL 111 2.206 -0.255 -6.679 912 HA VAL 111 HA VAL 111 2.057 0.365 -3.910 913 HB VAL 111 HB VAL 111 2.838 -2.208 -5.301 914 1HG1 VAL 111 1HG1 VAL 111 3.731 -2.168 -3.036 915 2HG1 VAL 111 2HG1 VAL 111 2.408 -3.323 -3.176 916 3HG1 VAL 111 3HG1 VAL 111 2.136 -1.761 -2.404 917 1HG2 VAL 111 1HG2 VAL 111 0.557 -2.917 -4.748 918 2HG2 VAL 111 2HG2 VAL 111 0.563 -1.490 -5.784 919 3HG2 VAL 111 3HG2 VAL 111 0.233 -1.326 -4.059 920 H ARG 112 H ARG 112 4.729 -0.350 -6.102 921 HA ARG 112 HA ARG 112 6.739 -0.733 -4.175 922 1HB ARG 112 2HB ARG 112 6.865 -1.162 -6.696 923 2HB ARG 112 1HB ARG 112 7.198 0.559 -6.862 924 1HG ARG 112 2HG ARG 112 9.171 0.318 -5.446 925 2HG ARG 112 1HG ARG 112 8.836 -1.406 -5.273 926 1HD ARG 112 2HD ARG 112 8.976 -1.546 -7.799 927 2HD ARG 112 1HD ARG 112 9.622 0.096 -7.760 928 HE ARG 112 HE ARG 112 11.013 -1.712 -6.018 929 1HH1 ARG 112 1HH1 ARG 112 10.797 -0.555 -9.325 930 2HH1 ARG 112 2HH1 ARG 112 12.423 -1.028 -9.717 931 1HH2 ARG 112 1HH2 ARG 112 13.138 -2.304 -6.533 932 2HH2 ARG 112 2HH2 ARG 112 13.755 -2.005 -8.132 933 H LYS 113 H LYS 113 5.556 2.183 -5.798 934 HA LYS 113 HA LYS 113 7.248 4.096 -4.730 935 1HB LYS 113 2HB LYS 113 4.304 4.192 -5.378 936 2HB LYS 113 1HB LYS 113 5.209 5.609 -4.888 937 1HG LYS 113 2HG LYS 113 6.581 5.503 -6.837 938 2HG LYS 113 1HG LYS 113 5.909 3.931 -7.283 939 1HD LYS 113 2HD LYS 113 3.730 4.924 -7.630 940 2HD LYS 113 1HD LYS 113 4.318 6.487 -7.070 941 1HE LYS 113 2HE LYS 113 5.409 5.050 -9.482 942 2HE LYS 113 1HE LYS 113 4.117 6.246 -9.557 943 1HZ LYS 113 1HZ LYS 113 5.696 7.820 -8.458 944 2HZ LYS 113 2HZ LYS 113 6.131 7.353 -10.032 945 3HZ LYS 113 3HZ LYS 113 6.925 6.671 -8.701 946 H LEU 114 H LEU 114 4.230 2.811 -3.370 947 HA LEU 114 HA LEU 114 4.190 4.346 -1.042 948 1HB LEU 114 2HB LEU 114 2.884 1.905 -2.056 949 2HB LEU 114 1HB LEU 114 2.895 2.082 -0.321 950 HG LEU 114 HG LEU 114 1.782 4.279 -0.557 951 1HD1 LEU 114 1HD1 LEU 114 2.593 4.857 -2.780 952 2HD1 LEU 114 2HD1 LEU 114 0.832 4.916 -2.707 953 3HD1 LEU 114 3HD1 LEU 114 1.638 3.549 -3.475 954 1HD2 LEU 114 1HD2 LEU 114 -0.402 3.416 -1.181 955 2HD2 LEU 114 2HD2 LEU 114 0.471 2.251 -0.186 956 3HD2 LEU 114 3HD2 LEU 114 0.354 2.008 -1.930 957 H VAL 115 H VAL 115 5.468 1.080 -1.624 958 HA VAL 115 HA VAL 115 6.192 0.597 1.050 959 HB VAL 115 HB VAL 115 7.395 -0.614 -1.444 960 1HG1 VAL 115 1HG1 VAL 115 7.456 -1.576 1.415 961 2HG1 VAL 115 2HG1 VAL 115 8.826 -0.957 0.493 962 3HG1 VAL 115 3HG1 VAL 115 8.054 -2.469 0.016 963 1HG2 VAL 115 1HG2 VAL 115 5.145 -1.590 0.315 964 2HG2 VAL 115 2HG2 VAL 115 5.844 -2.466 -1.046 965 3HG2 VAL 115 3HG2 VAL 115 4.981 -0.953 -1.322 966 H ILE 116 H ILE 116 8.188 1.662 -1.707 967 HA ILE 116 HA ILE 116 10.586 1.921 -0.288 968 HB ILE 116 HB ILE 116 9.627 3.499 -2.678 969 1HG1 ILE 116 2HG1 ILE 116 11.423 1.070 -2.484 970 2HG1 ILE 116 1HG1 ILE 116 9.751 1.061 -3.030 971 1HG2 ILE 116 1HG2 ILE 116 12.000 4.000 -3.078 972 2HG2 ILE 116 2HG2 ILE 116 12.415 3.237 -1.542 973 3HG2 ILE 116 3HG2 ILE 116 11.423 4.696 -1.566 974 1HD1 ILE 116 1HD1 ILE 116 11.253 0.962 -4.910 975 2HD1 ILE 116 2HD1 ILE 116 12.060 2.437 -4.382 976 3HD1 ILE 116 3HD1 ILE 116 10.380 2.495 -4.921 977 H PHE 117 H PHE 117 7.796 4.022 -0.514 978 HA PHE 117 HA PHE 117 9.118 6.356 0.448 979 1HB PHE 117 2HB PHE 117 6.466 5.627 -0.418 980 2HB PHE 117 1HB PHE 117 6.388 6.570 1.064 981 HD1 PHE 117 1HD PHE 117 7.338 6.574 -2.465 982 HD2 PHE 117 2HD PHE 117 7.098 8.873 1.110 983 HE1 PHE 117 1HE PHE 117 7.682 8.630 -3.767 984 HE2 PHE 117 2HE PHE 117 7.441 10.932 -0.189 985 HZ PHE 117 HZ PHE 117 7.735 10.812 -2.631 986 H ALA 118 H ALA 118 7.153 3.833 1.955 987 HA ALA 118 HA ALA 118 7.167 5.038 4.541 988 1HB ALA 118 1HB ALA 118 6.654 2.172 3.754 989 2HB ALA 118 2HB ALA 118 5.443 3.450 3.861 990 3HB ALA 118 3HB ALA 118 6.276 2.899 5.315 991 H VAL 119 H VAL 119 9.105 2.450 3.048 992 HA VAL 119 HA VAL 119 10.577 1.833 5.383 993 HB VAL 119 HB VAL 119 11.415 1.436 2.502 994 1HG1 VAL 119 1HG1 VAL 119 12.373 0.103 5.032 995 2HG1 VAL 119 2HG1 VAL 119 13.304 1.203 4.014 996 3HG1 VAL 119 3HG1 VAL 119 12.820 -0.379 3.397 997 1HG2 VAL 119 1HG2 VAL 119 9.261 0.389 2.964 998 2HG2 VAL 119 2HG2 VAL 119 9.950 -0.423 4.371 999 3HG2 VAL 119 3HG2 VAL 119 10.521 -0.828 2.753 1000 H ASN 120 H ASN 120 11.093 4.150 2.782 1001 HA ASN 120 HA ASN 120 13.678 5.003 3.620 1002 1HB ASN 120 2HB ASN 120 12.488 5.358 1.348 1003 2HB ASN 120 1HB ASN 120 11.698 6.721 2.130 1004 1HD2 ASN 120 1HD2 ASN 120 14.676 5.436 0.918 1005 2HD2 ASN 120 2HD2 ASN 120 15.562 6.923 0.933 1006 H SER 121 H SER 121 10.410 5.811 4.496 1007 HA SER 121 HA SER 121 11.034 8.207 5.914 1008 1HB SER 121 2HB SER 121 8.581 6.458 5.767 1009 2HB SER 121 1HB SER 121 8.648 7.928 6.723 1010 HG SER 121 HG SER 121 8.776 7.612 3.928 1011 H LEU 122 H LEU 122 10.796 4.813 6.729 1012 HA LEU 122 HA LEU 122 10.471 4.940 9.485 1013 1HB LEU 122 2HB LEU 122 12.063 2.977 7.842 1014 2HB LEU 122 1HB LEU 122 11.704 2.760 9.544 1015 HG LEU 122 HG LEU 122 9.650 2.922 7.337 1016 1HD1 LEU 122 1HD1 LEU 122 10.976 0.872 7.245 1017 2HD1 LEU 122 2HD1 LEU 122 9.321 0.543 7.759 1018 3HD1 LEU 122 3HD1 LEU 122 10.626 0.565 8.946 1019 1HD2 LEU 122 1HD2 LEU 122 9.362 2.339 10.282 1020 2HD2 LEU 122 2HD2 LEU 122 8.074 2.220 9.082 1021 3HD2 LEU 122 3HD2 LEU 122 8.801 3.787 9.446 1022 H GLU 123 H GLU 123 13.421 5.091 7.590 1023 HA GLU 123 HA GLU 123 14.916 5.828 9.992 1024 1HB GLU 123 2HB GLU 123 15.912 5.200 7.208 1025 2HB GLU 123 1HB GLU 123 16.929 5.582 8.590 1026 1HG GLU 123 2HG GLU 123 15.967 3.583 9.740 1027 2HG GLU 123 1HG GLU 123 15.176 3.172 8.219 1028 H HIS 124 H HIS 124 13.363 7.731 9.730 1029 HA HIS 124 HA HIS 124 13.611 9.721 7.859 1030 1HB HIS 124 2HB HIS 124 13.026 11.300 9.803 1031 2HB HIS 124 1HB HIS 124 11.896 10.007 9.428 1032 HD1 HIS 124 1HD HIS 124 11.171 8.601 11.341 1033 HD2 HIS 124 2HD HIS 124 14.719 10.635 12.146 1034 HE1 HIS 124 1HE HIS 124 11.714 8.117 13.751 1035 HE2 HIS 124 2HE HIS 124 13.763 9.495 14.261 1036 H HIS 125 H HIS 125 15.418 10.531 7.080 1037 HA HIS 125 HA HIS 125 17.416 11.514 9.000 1038 1HB HIS 125 2HB HIS 125 19.154 11.024 7.287 1039 2HB HIS 125 1HB HIS 125 18.384 9.589 7.931 1040 HD1 HIS 125 1HD HIS 125 16.792 8.282 6.321 1041 HD2 HIS 125 2HD HIS 125 18.919 11.391 4.559 1042 HE1 HIS 125 1HE HIS 125 16.640 7.889 3.843 1043 HE2 HIS 125 2HE HIS 125 18.143 9.638 2.822 1044 H HIS 126 H HIS 126 15.074 12.494 7.148 1045 HA HIS 126 HA HIS 126 16.489 14.977 6.457 1046 1HB HIS 126 2HB HIS 126 15.830 13.707 4.422 1047 2HB HIS 126 1HB HIS 126 14.153 13.777 4.947 1048 HD1 HIS 126 1HD HIS 126 16.632 16.663 4.951 1049 HD2 HIS 126 2HD HIS 126 13.105 15.466 3.096 1050 HE1 HIS 126 1HE HIS 126 15.896 18.625 3.555 1051 HE2 HIS 126 2HE HIS 126 13.802 17.851 2.381 1052 H HIS 127 H HIS 127 14.811 13.866 8.791 1053 HA HIS 127 HA HIS 127 12.461 15.497 8.848 1054 1HB HIS 127 2HB HIS 127 12.679 13.381 10.171 1055 2HB HIS 127 1HB HIS 127 13.859 14.192 11.197 1056 HD1 HIS 127 1HD HIS 127 10.194 14.182 10.349 1057 HD2 HIS 127 2HD HIS 127 12.785 15.924 13.103 1058 HE1 HIS 127 1HE HIS 127 8.722 15.256 12.083 1059 HE2 HIS 127 2HE HIS 127 10.306 16.192 13.808 1060 H HIS 128 H HIS 128 12.837 17.564 8.620 1061 HA HIS 128 HA HIS 128 13.725 19.230 10.651 1062 1HB HIS 128 2HB HIS 128 15.991 18.292 10.062 1063 2HB HIS 128 1HB HIS 128 15.791 18.943 8.440 1064 HD1 HIS 128 1HD HIS 128 16.068 20.140 12.032 1065 HD2 HIS 128 2HD HIS 128 16.582 21.537 8.143 1066 HE1 HIS 128 1HE HIS 128 17.127 22.413 12.256 1067 HE2 HIS 128 2HE HIS 128 17.606 23.148 9.892 1068 H HIS 129 H HIS 129 13.395 18.593 7.248 1069 HA HIS 129 HA HIS 129 11.488 20.749 7.032 1070 1HB HIS 129 2HB HIS 129 14.141 20.865 5.748 1071 2HB HIS 129 1HB HIS 129 12.787 21.148 4.658 1072 HD1 HIS 129 1HD HIS 129 11.196 23.182 5.287 1073 HD2 HIS 129 2HD HIS 129 14.784 22.973 7.380 1074 HE1 HIS 129 1HE HIS 129 11.501 25.447 6.346 1075 HE2 HIS 129 2HE HIS 129 13.641 25.274 7.672 Start of MODEL 10 1 1H MET 1 1HT MET 1 19.854 -1.459 9.199 2 2H MET 1 2HT MET 1 21.319 -1.527 10.049 3 3H MET 1 3HT MET 1 20.308 -2.890 9.988 4 HA MET 1 HA MET 1 21.647 -1.650 7.658 5 1HB MET 1 2HB MET 1 23.255 -2.718 9.188 6 2HB MET 1 1HB MET 1 22.307 -4.198 9.154 7 1HG MET 1 2HG MET 1 22.765 -4.466 6.785 8 2HG MET 1 1HG MET 1 23.665 -2.951 6.775 9 1HE MET 1 1HE MET 1 24.811 -5.672 5.649 10 2HE MET 1 2HE MET 1 26.443 -5.688 6.310 11 3HE MET 1 3HE MET 1 25.774 -4.191 5.663 12 H SER 2 H SER 2 20.442 -4.851 8.703 13 HA SER 2 HA SER 2 18.953 -4.979 6.167 14 1HB SER 2 2HB SER 2 20.754 -6.694 6.450 15 2HB SER 2 1HB SER 2 19.907 -7.296 7.874 16 HG SER 2 HG SER 2 18.387 -8.161 6.644 17 H ILE 3 H ILE 3 16.878 -4.603 6.443 18 HA ILE 3 HA ILE 3 15.545 -5.637 8.865 19 HB ILE 3 HB ILE 3 13.981 -3.755 8.770 20 1HG1 ILE 3 2HG1 ILE 3 15.781 -2.696 6.586 21 2HG1 ILE 3 1HG1 ILE 3 14.145 -3.294 6.361 22 1HG2 ILE 3 1HG2 ILE 3 15.906 -3.571 10.226 23 2HG2 ILE 3 2HG2 ILE 3 15.502 -1.993 9.549 24 3HG2 ILE 3 3HG2 ILE 3 16.867 -2.907 8.905 25 1HD1 ILE 3 1HD1 ILE 3 13.279 -1.479 7.722 26 2HD1 ILE 3 2HD1 ILE 3 14.225 -0.861 6.367 27 3HD1 ILE 3 3HD1 ILE 3 14.917 -0.886 7.990 28 H SER 4 H SER 4 13.067 -5.592 8.453 29 HA SER 4 HA SER 4 12.328 -6.164 5.712 30 1HB SER 4 2HB SER 4 11.970 -8.231 7.898 31 2HB SER 4 1HB SER 4 11.334 -8.355 6.256 32 HG SER 4 HG SER 4 13.947 -7.822 6.112 33 H THR 5 H THR 5 11.010 -4.370 5.852 34 HA THR 5 HA THR 5 9.002 -4.137 7.897 35 HB THR 5 HB THR 5 8.096 -2.299 6.505 36 HG1 THR 5 1HG THR 5 10.249 -2.948 4.730 37 1HG2 THR 5 1HG2 THR 5 10.044 -0.819 6.646 38 2HG2 THR 5 2HG2 THR 5 11.094 -2.221 6.854 39 3HG2 THR 5 3HG2 THR 5 9.893 -1.827 8.085 40 H SER 6 H SER 6 6.714 -4.331 7.562 41 HA SER 6 HA SER 6 5.917 -6.709 6.410 42 1HB SER 6 2HB SER 6 3.576 -5.748 6.631 43 2HB SER 6 1HB SER 6 4.552 -5.718 8.100 44 HG SER 6 HG SER 6 3.365 -3.725 7.504 45 H ALA 7 H ALA 7 5.637 -3.432 5.102 46 HA ALA 7 HA ALA 7 4.159 -3.959 2.826 47 1HB ALA 7 1HB ALA 7 4.690 -1.713 3.694 48 2HB ALA 7 2HB ALA 7 4.982 -1.863 1.963 49 3HB ALA 7 3HB ALA 7 6.336 -1.893 3.091 50 H GLU 8 H GLU 8 7.735 -3.933 3.115 51 HA GLU 8 HA GLU 8 8.101 -4.506 0.356 52 1HB GLU 8 2HB GLU 8 10.446 -4.725 0.849 53 2HB GLU 8 1HB GLU 8 9.807 -3.360 1.747 54 1HG GLU 8 2HG GLU 8 9.655 -4.859 3.742 55 2HG GLU 8 1HG GLU 8 10.516 -6.079 2.806 56 H VAL 9 H VAL 9 7.694 -6.468 3.200 57 HA VAL 9 HA VAL 9 8.588 -8.912 2.070 58 HB VAL 9 HB VAL 9 6.674 -8.403 4.353 59 1HG1 VAL 9 1HG1 VAL 9 7.050 -10.749 4.980 60 2HG1 VAL 9 2HG1 VAL 9 7.977 -10.988 3.498 61 3HG1 VAL 9 3HG1 VAL 9 6.256 -10.611 3.411 62 1HG2 VAL 9 1HG2 VAL 9 8.593 -9.000 5.760 63 2HG2 VAL 9 2HG2 VAL 9 8.940 -7.595 4.750 64 3HG2 VAL 9 3HG2 VAL 9 9.590 -9.176 4.316 65 H TYR 10 H TYR 10 5.331 -7.497 2.440 66 HA TYR 10 HA TYR 10 3.925 -9.612 1.238 67 1HB TYR 10 2HB TYR 10 3.187 -6.679 1.217 68 2HB TYR 10 1HB TYR 10 2.096 -8.017 0.898 69 HD1 TYR 10 2HD TYR 10 2.647 -9.902 3.056 70 HD2 TYR 10 1HD TYR 10 2.509 -5.650 3.130 71 HE1 TYR 10 2HE TYR 10 2.076 -9.965 5.451 72 HE2 TYR 10 1HE TYR 10 1.934 -5.703 5.515 73 HH TYR 10 HH TYR 10 1.141 -7.051 7.186 74 H TYR 11 H TYR 11 5.508 -6.780 -0.128 75 HA TYR 11 HA TYR 11 4.488 -6.980 -2.734 76 1HB TYR 11 2HB TYR 11 5.603 -4.962 -2.014 77 2HB TYR 11 1HB TYR 11 7.112 -5.835 -1.756 78 HD1 TYR 11 1HD TYR 11 4.676 -4.929 -4.425 79 HD2 TYR 11 2HD TYR 11 8.685 -5.963 -3.468 80 HE1 TYR 11 1HE TYR 11 5.339 -4.477 -6.750 81 HE2 TYR 11 2HE TYR 11 9.360 -5.511 -5.785 82 HH TYR 11 HH TYR 11 8.214 -5.527 -8.059 83 H GLU 12 H GLU 12 7.374 -8.416 -1.260 84 HA GLU 12 HA GLU 12 8.367 -9.583 -3.641 85 1HB GLU 12 2HB GLU 12 9.710 -9.241 -1.577 86 2HB GLU 12 1HB GLU 12 8.780 -10.508 -0.789 87 1HG GLU 12 2HG GLU 12 9.599 -12.141 -2.380 88 2HG GLU 12 1HG GLU 12 10.476 -10.883 -3.247 89 H GLU 13 H GLU 13 6.138 -10.731 -1.148 90 HA GLU 13 HA GLU 13 5.849 -13.365 -2.154 91 1HB GLU 13 2HB GLU 13 3.835 -11.704 -0.622 92 2HB GLU 13 1HB GLU 13 3.782 -13.447 -0.834 93 1HG GLU 13 2HG GLU 13 5.964 -13.581 0.372 94 2HG GLU 13 1HG GLU 13 5.813 -11.860 0.715 95 H ALA 14 H ALA 14 4.244 -10.316 -2.882 96 HA ALA 14 HA ALA 14 2.313 -11.317 -4.666 97 1HB ALA 14 1HB ALA 14 2.210 -9.044 -5.556 98 2HB ALA 14 2HB ALA 14 3.703 -8.640 -4.706 99 3HB ALA 14 3HB ALA 14 2.250 -9.039 -3.793 100 H GLU 15 H GLU 15 5.632 -10.142 -5.199 101 HA GLU 15 HA GLU 15 5.705 -10.632 -7.971 102 1HB GLU 15 2HB GLU 15 7.907 -10.511 -5.917 103 2HB GLU 15 1HB GLU 15 8.219 -10.717 -7.631 104 1HG GLU 15 2HG GLU 15 6.848 -8.576 -7.944 105 2HG GLU 15 1HG GLU 15 7.056 -8.356 -6.207 106 H GLU 16 H GLU 16 6.306 -12.715 -5.204 107 HA GLU 16 HA GLU 16 7.347 -14.902 -6.605 108 1HB GLU 16 2HB GLU 16 6.173 -14.430 -3.938 109 2HB GLU 16 1HB GLU 16 6.241 -16.087 -4.489 110 1HG GLU 16 2HG GLU 16 8.564 -14.200 -4.226 111 2HG GLU 16 1HG GLU 16 8.190 -15.556 -3.162 112 H PHE 17 H PHE 17 4.025 -14.083 -5.691 113 HA PHE 17 HA PHE 17 2.905 -16.393 -6.926 114 1HB PHE 17 2HB PHE 17 1.755 -13.802 -5.953 115 2HB PHE 17 1HB PHE 17 0.765 -14.898 -6.911 116 HD1 PHE 17 2HD PHE 17 0.460 -17.260 -6.090 117 HD2 PHE 17 1HD PHE 17 2.086 -14.169 -3.669 118 HE1 PHE 17 2HE PHE 17 -0.036 -18.584 -4.077 119 HE2 PHE 17 1HE PHE 17 1.596 -15.485 -1.649 120 HZ PHE 17 HZ PHE 17 0.535 -17.696 -1.852 121 H LEU 18 H LEU 18 3.692 -13.171 -8.066 122 HA LEU 18 HA LEU 18 2.495 -13.370 -10.612 123 1HB LEU 18 2HB LEU 18 3.330 -11.261 -9.683 124 2HB LEU 18 1HB LEU 18 4.973 -11.865 -9.759 125 HG LEU 18 HG LEU 18 4.787 -11.966 -12.236 126 1HD1 LEU 18 1HD1 LEU 18 2.148 -10.588 -11.768 127 2HD1 LEU 18 2HD1 LEU 18 2.371 -12.215 -12.408 128 3HD1 LEU 18 3HD1 LEU 18 2.932 -10.819 -13.330 129 1HD2 LEU 18 1HD2 LEU 18 4.191 -9.274 -11.016 130 2HD2 LEU 18 2HD2 LEU 18 4.937 -9.558 -12.589 131 3HD2 LEU 18 3HD2 LEU 18 5.779 -10.032 -11.114 132 H SER 19 H SER 19 5.561 -14.476 -9.314 133 HA SER 19 HA SER 19 6.628 -15.367 -11.814 134 1HB SER 19 2HB SER 19 7.392 -16.204 -9.006 135 2HB SER 19 1HB SER 19 8.363 -16.414 -10.465 136 HG SER 19 HG SER 19 7.666 -14.004 -9.139 137 H LYS 20 H LYS 20 4.702 -16.764 -9.264 138 HA LYS 20 HA LYS 20 4.736 -19.459 -10.072 139 1HB LYS 20 2HB LYS 20 3.883 -18.651 -7.890 140 2HB LYS 20 1HB LYS 20 2.546 -17.865 -8.706 141 1HG LYS 20 2HG LYS 20 2.939 -20.819 -8.953 142 2HG LYS 20 1HG LYS 20 2.171 -20.128 -7.522 143 1HD LYS 20 2HD LYS 20 0.608 -18.928 -9.133 144 2HD LYS 20 1HD LYS 20 1.254 -19.991 -10.383 145 1HE LYS 20 2HE LYS 20 -0.142 -20.847 -7.853 146 2HE LYS 20 1HE LYS 20 -0.822 -20.878 -9.476 147 1HZ LYS 20 1HZ LYS 20 -0.100 -23.058 -8.898 148 2HZ LYS 20 2HZ LYS 20 1.441 -22.511 -8.457 149 3HZ LYS 20 3HZ LYS 20 0.960 -22.469 -10.083 150 H GLY 21 H GLY 21 2.722 -16.706 -10.989 151 1HA GLY 21 2HA GLY 21 2.022 -16.582 -13.335 152 2HA GLY 21 1HA GLY 21 1.719 -18.312 -13.257 153 H ASP 22 H ASP 22 0.862 -16.378 -10.536 154 HA ASP 22 HA ASP 22 -1.970 -16.583 -11.325 155 1HB ASP 22 2HB ASP 22 -1.333 -18.045 -9.403 156 2HB ASP 22 1HB ASP 22 -0.843 -16.606 -8.513 157 H LEU 23 H LEU 23 -3.119 -14.737 -11.369 158 HA LEU 23 HA LEU 23 -1.711 -12.276 -10.617 159 1HB LEU 23 2HB LEU 23 -4.146 -12.705 -12.351 160 2HB LEU 23 1HB LEU 23 -3.410 -11.148 -12.024 161 HG LEU 23 HG LEU 23 -2.037 -13.427 -13.453 162 1HD1 LEU 23 1HD1 LEU 23 -3.879 -12.556 -14.777 163 2HD1 LEU 23 2HD1 LEU 23 -2.332 -12.069 -15.469 164 3HD1 LEU 23 3HD1 LEU 23 -3.288 -10.911 -14.544 165 1HD2 LEU 23 1HD2 LEU 23 -1.238 -10.554 -13.006 166 2HD2 LEU 23 2HD2 LEU 23 -0.395 -11.690 -14.057 167 3HD2 LEU 23 3HD2 LEU 23 -0.463 -11.982 -12.319 168 H VAL 24 H VAL 24 -4.239 -14.292 -9.583 169 HA VAL 24 HA VAL 24 -5.950 -12.231 -8.521 170 HB VAL 24 HB VAL 24 -6.012 -15.211 -8.013 171 1HG1 VAL 24 1HG1 VAL 24 -8.135 -13.110 -7.579 172 2HG1 VAL 24 2HG1 VAL 24 -7.206 -13.913 -6.314 173 3HG1 VAL 24 3HG1 VAL 24 -8.318 -14.846 -7.314 174 1HG2 VAL 24 1HG2 VAL 24 -7.536 -13.544 -10.013 175 2HG2 VAL 24 2HG2 VAL 24 -7.784 -15.263 -9.706 176 3HG2 VAL 24 3HG2 VAL 24 -6.255 -14.701 -10.381 177 H GLN 25 H GLN 25 -4.000 -14.833 -7.057 178 HA GLN 25 HA GLN 25 -4.310 -13.771 -4.417 179 1HB GLN 25 2HB GLN 25 -2.372 -15.843 -5.461 180 2HB GLN 25 1HB GLN 25 -2.663 -15.488 -3.763 181 1HG GLN 25 2HG GLN 25 -5.095 -16.063 -4.218 182 2HG GLN 25 1HG GLN 25 -4.533 -16.728 -5.749 183 1HE2 GLN 25 1HE2 GLN 25 -5.792 -18.041 -3.463 184 2HE2 GLN 25 2HE2 GLN 25 -4.693 -19.286 -2.972 185 H ALA 26 H ALA 26 -2.017 -13.396 -6.997 186 HA ALA 26 HA ALA 26 0.073 -12.144 -5.621 187 1HB ALA 26 1HB ALA 26 -0.941 -11.555 -8.400 188 2HB ALA 26 2HB ALA 26 0.246 -12.787 -7.970 189 3HB ALA 26 3HB ALA 26 0.626 -11.079 -7.751 190 H CYS 27 H CYS 27 -2.915 -10.826 -6.995 191 HA CYS 27 HA CYS 27 -2.450 -8.127 -6.301 192 1HB CYS 27 2HB CYS 27 -4.114 -8.774 -7.976 193 2HB CYS 27 1HB CYS 27 -5.052 -9.613 -6.748 194 HG CYS 27 HG CYS 27 -5.790 -6.811 -7.783 195 H GLU 28 H GLU 28 -3.576 -10.864 -4.488 196 HA GLU 28 HA GLU 28 -4.801 -9.367 -2.383 197 1HB GLU 28 2HB GLU 28 -4.905 -11.959 -3.157 198 2HB GLU 28 1HB GLU 28 -3.778 -12.085 -1.816 199 1HG GLU 28 2HG GLU 28 -6.369 -10.644 -1.467 200 2HG GLU 28 1HG GLU 28 -6.313 -12.403 -1.416 201 H LYS 29 H LYS 29 -1.661 -11.003 -2.782 202 HA LYS 29 HA LYS 29 -0.563 -10.117 -0.318 203 1HB LYS 29 2HB LYS 29 0.821 -10.875 -2.904 204 2HB LYS 29 1HB LYS 29 1.642 -10.620 -1.373 205 1HG LYS 29 2HG LYS 29 -0.364 -12.774 -2.005 206 2HG LYS 29 1HG LYS 29 1.375 -12.975 -1.775 207 1HD LYS 29 2HD LYS 29 1.055 -12.065 0.555 208 2HD LYS 29 1HD LYS 29 -0.684 -12.187 0.279 209 1HE LYS 29 2HE LYS 29 -0.090 -14.159 1.417 210 2HE LYS 29 1HE LYS 29 -0.279 -14.631 -0.270 211 1HZ LYS 29 1HZ LYS 29 2.087 -14.623 -0.548 212 2HZ LYS 29 2HZ LYS 29 1.718 -15.573 0.801 213 3HZ LYS 29 3HZ LYS 29 2.328 -14.002 1.009 214 H TYR 30 H TYR 30 -0.516 -8.862 -3.595 215 HA TYR 30 HA TYR 30 1.166 -6.682 -3.305 216 1HB TYR 30 2HB TYR 30 0.589 -7.238 -5.488 217 2HB TYR 30 1HB TYR 30 -1.123 -7.361 -5.112 218 HD1 TYR 30 1HD TYR 30 1.625 -5.031 -5.879 219 HD2 TYR 30 2HD TYR 30 -2.554 -5.456 -5.216 220 HE1 TYR 30 1HE TYR 30 1.253 -2.771 -6.780 221 HE2 TYR 30 2HE TYR 30 -2.936 -3.206 -6.116 222 HH TYR 30 HH TYR 30 -1.644 -1.105 -6.387 223 H TYR 31 H TYR 31 -2.332 -6.897 -2.711 224 HA TYR 31 HA TYR 31 -2.754 -4.156 -2.268 225 1HB TYR 31 2HB TYR 31 -4.585 -5.751 -2.668 226 2HB TYR 31 1HB TYR 31 -4.281 -6.492 -1.099 227 HD1 TYR 31 2HD TYR 31 -5.258 -3.288 -2.710 228 HD2 TYR 31 1HD TYR 31 -5.314 -5.647 0.829 229 HE1 TYR 31 2HE TYR 31 -6.776 -1.663 -1.659 230 HE2 TYR 31 1HE TYR 31 -6.834 -4.033 1.889 231 HH TYR 31 HH TYR 31 -7.435 -1.649 1.656 232 H LYS 32 H LYS 32 -1.849 -6.762 -0.073 233 HA LYS 32 HA LYS 32 -2.075 -5.226 2.295 234 1HB LYS 32 2HB LYS 32 -0.640 -7.801 1.675 235 2HB LYS 32 1HB LYS 32 -0.625 -7.071 3.278 236 1HG LYS 32 2HG LYS 32 -3.071 -7.182 3.342 237 2HG LYS 32 1HG LYS 32 -3.073 -7.932 1.747 238 1HD LYS 32 2HD LYS 32 -1.661 -9.096 4.140 239 2HD LYS 32 1HD LYS 32 -3.313 -9.517 3.683 240 1HE LYS 32 2HE LYS 32 -2.404 -10.178 1.430 241 2HE LYS 32 1HE LYS 32 -0.786 -9.980 2.107 242 1HZ LYS 32 1HZ LYS 32 -1.267 -11.672 3.732 243 2HZ LYS 32 2HZ LYS 32 -1.586 -12.287 2.186 244 3HZ LYS 32 3HZ LYS 32 -2.868 -11.807 3.182 245 H ALA 33 H ALA 33 0.477 -5.648 -0.041 246 HA ALA 33 HA ALA 33 2.565 -4.507 1.487 247 1HB ALA 33 1HB ALA 33 3.690 -4.169 -0.650 248 2HB ALA 33 2HB ALA 33 2.183 -4.494 -1.506 249 3HB ALA 33 3HB ALA 33 2.959 -5.771 -0.571 250 H ALA 34 H ALA 34 -0.007 -3.183 -0.484 251 HA ALA 34 HA ALA 34 1.029 -0.496 -0.398 252 1HB ALA 34 1HB ALA 34 -1.657 -1.502 -1.322 253 2HB ALA 34 2HB ALA 34 -0.230 -1.292 -2.337 254 3HB ALA 34 3HB ALA 34 -0.998 0.112 -1.596 255 H GLU 35 H GLU 35 -1.623 -2.279 1.161 256 HA GLU 35 HA GLU 35 -2.884 -0.083 2.337 257 1HB GLU 35 2HB GLU 35 -3.944 -1.701 3.875 258 2HB GLU 35 1HB GLU 35 -3.991 -2.248 2.209 259 1HG GLU 35 2HG GLU 35 -2.305 -3.858 2.592 260 2HG GLU 35 1HG GLU 35 -1.913 -3.170 4.166 261 H GLU 36 H GLU 36 -0.329 -2.189 3.635 262 HA GLU 36 HA GLU 36 -0.335 -0.893 6.173 263 1HB GLU 36 2HB GLU 36 1.670 -2.745 4.891 264 2HB GLU 36 1HB GLU 36 1.810 -2.139 6.538 265 1HG GLU 36 2HG GLU 36 -0.716 -3.107 6.567 266 2HG GLU 36 1HG GLU 36 0.054 -4.209 5.427 267 H ALA 37 H ALA 37 1.477 -0.432 3.203 268 HA ALA 37 HA ALA 37 3.536 1.188 4.192 269 1HB ALA 37 1HB ALA 37 2.207 1.387 1.489 270 2HB ALA 37 2HB ALA 37 3.471 0.233 1.915 271 3HB ALA 37 3HB ALA 37 3.820 1.961 1.919 272 H ILE 38 H ILE 38 0.211 1.937 3.339 273 HA ILE 38 HA ILE 38 0.434 4.747 3.337 274 HB ILE 38 HB ILE 38 -1.974 3.030 3.967 275 1HG1 ILE 38 2HG1 ILE 38 -1.035 2.636 1.733 276 2HG1 ILE 38 1HG1 ILE 38 -2.600 3.431 1.634 277 1HG2 ILE 38 1HG2 ILE 38 -3.317 5.002 3.431 278 2HG2 ILE 38 2HG2 ILE 38 -1.845 5.956 3.241 279 3HG2 ILE 38 3HG2 ILE 38 -2.269 5.294 4.819 280 1HD1 ILE 38 1HD1 ILE 38 -1.045 4.363 0.027 281 2HD1 ILE 38 2HD1 ILE 38 0.078 4.765 1.326 282 3HD1 ILE 38 3HD1 ILE 38 -1.489 5.570 1.235 283 H LYS 39 H LYS 39 -0.546 2.500 5.945 284 HA LYS 39 HA LYS 39 -1.014 4.610 7.795 285 1HB LYS 39 2HB LYS 39 -1.105 2.825 9.518 286 2HB LYS 39 1HB LYS 39 -2.151 2.532 8.142 287 1HG LYS 39 2HG LYS 39 -0.403 0.990 7.245 288 2HG LYS 39 1HG LYS 39 0.461 1.185 8.773 289 1HD LYS 39 2HD LYS 39 -1.444 0.311 9.995 290 2HD LYS 39 1HD LYS 39 -2.379 0.201 8.503 291 1HE LYS 39 2HE LYS 39 -1.605 -1.982 8.966 292 2HE LYS 39 1HE LYS 39 -0.609 -1.375 7.645 293 1HZ LYS 39 1HZ LYS 39 0.128 -1.688 10.496 294 2HZ LYS 39 2HZ LYS 39 1.036 -0.732 9.437 295 3HZ LYS 39 3HZ LYS 39 0.863 -2.393 9.138 296 H LEU 40 H LEU 40 1.823 2.599 7.100 297 HA LEU 40 HA LEU 40 3.493 3.436 9.143 298 1HB LEU 40 2HB LEU 40 3.854 2.462 6.379 299 2HB LEU 40 1HB LEU 40 5.216 3.316 7.066 300 HG LEU 40 HG LEU 40 5.013 1.716 9.026 301 1HD1 LEU 40 1HD1 LEU 40 3.346 0.194 7.053 302 2HD1 LEU 40 2HD1 LEU 40 2.806 0.857 8.598 303 3HD1 LEU 40 3HD1 LEU 40 3.993 -0.447 8.563 304 1HD2 LEU 40 1HD2 LEU 40 5.790 0.638 6.329 305 2HD2 LEU 40 2HD2 LEU 40 6.305 -0.014 7.885 306 3HD2 LEU 40 3HD2 LEU 40 6.809 1.605 7.396 307 H LEU 41 H LEU 41 2.729 5.030 6.074 308 HA LEU 41 HA LEU 41 4.595 7.148 6.417 309 1HB LEU 41 2HB LEU 41 2.169 6.924 4.640 310 2HB LEU 41 1HB LEU 41 3.341 8.227 4.557 311 HG LEU 41 HG LEU 41 3.889 5.309 4.022 312 1HD1 LEU 41 1HD1 LEU 41 2.643 6.393 2.238 313 2HD1 LEU 41 2HD1 LEU 41 4.299 6.048 1.737 314 3HD1 LEU 41 3HD1 LEU 41 3.835 7.692 2.180 315 1HD2 LEU 41 1HD2 LEU 41 6.125 6.079 3.353 316 2HD2 LEU 41 2HD2 LEU 41 5.807 6.343 5.067 317 3HD2 LEU 41 3HD2 LEU 41 5.728 7.695 3.935 318 H VAL 42 H VAL 42 1.172 6.778 7.182 319 HA VAL 42 HA VAL 42 0.683 9.482 7.841 320 HB VAL 42 HB VAL 42 -0.688 7.018 8.935 321 1HG1 VAL 42 1HG1 VAL 42 -2.571 8.529 9.386 322 2HG1 VAL 42 2HG1 VAL 42 -1.583 9.896 8.875 323 3HG1 VAL 42 3HG1 VAL 42 -1.134 8.973 10.309 324 1HG2 VAL 42 1HG2 VAL 42 -0.775 7.114 6.505 325 2HG2 VAL 42 2HG2 VAL 42 -1.391 8.765 6.583 326 3HG2 VAL 42 3HG2 VAL 42 -2.363 7.430 7.202 327 H ILE 43 H ILE 43 1.691 6.700 9.793 328 HA ILE 43 HA ILE 43 1.747 8.018 12.281 329 HB ILE 43 HB ILE 43 3.365 5.643 11.342 330 1HG1 ILE 43 2HG1 ILE 43 0.808 5.783 12.957 331 2HG1 ILE 43 1HG1 ILE 43 0.910 5.337 11.258 332 1HG2 ILE 43 1HG2 ILE 43 3.648 5.138 13.739 333 2HG2 ILE 43 2HG2 ILE 43 2.887 6.680 14.132 334 3HG2 ILE 43 3HG2 ILE 43 4.426 6.650 13.271 335 1HD1 ILE 43 1HD1 ILE 43 2.137 3.830 13.554 336 2HD1 ILE 43 2HD1 ILE 43 2.240 3.382 11.851 337 3HD1 ILE 43 3HD1 ILE 43 0.678 3.382 12.671 338 H GLU 44 H GLU 44 4.271 7.484 9.845 339 HA GLU 44 HA GLU 44 6.404 8.671 11.196 340 1HB GLU 44 2HB GLU 44 6.072 7.370 8.849 341 2HB GLU 44 1HB GLU 44 6.241 9.017 8.263 342 1HG GLU 44 2HG GLU 44 8.210 7.639 10.064 343 2HG GLU 44 1HG GLU 44 8.335 7.732 8.311 344 H ASN 45 H ASN 45 3.995 10.062 8.993 345 HA ASN 45 HA ASN 45 5.130 12.689 9.078 346 1HB ASN 45 2HB ASN 45 2.642 11.506 7.915 347 2HB ASN 45 1HB ASN 45 2.784 13.255 8.054 348 1HD2 ASN 45 1HD2 ASN 45 3.985 10.392 6.499 349 2HD2 ASN 45 2HD2 ASN 45 4.895 11.204 5.269 350 H ASN 46 H ASN 46 3.393 10.969 11.302 351 HA ASN 46 HA ASN 46 2.456 11.488 13.299 352 1HB ASN 46 2HB ASN 46 4.522 12.991 13.303 353 2HB ASN 46 1HB ASN 46 3.444 14.303 12.859 354 1HD2 ASN 46 1HD2 ASN 46 2.106 15.188 14.399 355 2HD2 ASN 46 2HD2 ASN 46 2.209 14.786 16.079 356 H LEU 47 H LEU 47 0.870 11.708 10.896 357 HA LEU 47 HA LEU 47 -0.844 13.999 11.250 358 1HB LEU 47 2HB LEU 47 -1.159 11.555 9.521 359 2HB LEU 47 1HB LEU 47 -2.224 12.941 9.495 360 HG LEU 47 HG LEU 47 0.677 12.886 8.672 361 1HD1 LEU 47 1HD1 LEU 47 -0.866 11.912 7.054 362 2HD1 LEU 47 2HD1 LEU 47 -0.205 13.439 6.469 363 3HD1 LEU 47 3HD1 LEU 47 -1.850 13.376 7.104 364 1HD2 LEU 47 1HD2 LEU 47 0.378 15.235 8.064 365 2HD2 LEU 47 2HD2 LEU 47 0.169 14.987 9.796 366 3HD2 LEU 47 3HD2 LEU 47 -1.241 15.212 8.763 367 H LYS 48 H LYS 48 -1.503 13.740 13.380 368 HA LYS 48 HA LYS 48 -2.659 11.379 14.401 369 1HB LYS 48 2HB LYS 48 -2.649 14.235 15.361 370 2HB LYS 48 1HB LYS 48 -3.306 12.900 16.276 371 1HG LYS 48 2HG LYS 48 -1.106 11.828 16.306 372 2HG LYS 48 1HG LYS 48 -0.451 13.187 15.391 373 1HD LYS 48 2HD LYS 48 -1.000 14.703 17.214 374 2HD LYS 48 1HD LYS 48 -1.723 13.375 18.122 375 1HE LYS 48 2HE LYS 48 1.167 13.528 17.274 376 2HE LYS 48 1HE LYS 48 0.556 13.918 18.882 377 1HZ LYS 48 1HZ LYS 48 -0.135 11.676 19.193 378 2HZ LYS 48 2HZ LYS 48 1.477 11.637 18.662 379 3HZ LYS 48 3HZ LYS 48 0.219 11.267 17.586 380 H GLU 49 H GLU 49 -3.867 13.759 12.349 381 HA GLU 49 HA GLU 49 -6.515 14.081 13.092 382 1HB GLU 49 2HB GLU 49 -5.002 14.834 10.957 383 2HB GLU 49 1HB GLU 49 -6.061 13.647 10.210 384 1HG GLU 49 2HG GLU 49 -6.902 16.113 11.717 385 2HG GLU 49 1HG GLU 49 -6.973 15.869 9.975 386 H ILE 50 H ILE 50 -4.971 11.405 11.378 387 HA ILE 50 HA ILE 50 -7.530 9.998 11.162 388 HB ILE 50 HB ILE 50 -4.782 9.065 10.288 389 1HG1 ILE 50 2HG1 ILE 50 -5.400 11.109 9.091 390 2HG1 ILE 50 1HG1 ILE 50 -5.468 9.719 8.013 391 1HG2 ILE 50 1HG2 ILE 50 -6.383 7.256 10.613 392 2HG2 ILE 50 2HG2 ILE 50 -6.018 7.474 8.901 393 3HG2 ILE 50 3HG2 ILE 50 -7.541 8.076 9.561 394 1HD1 ILE 50 1HD1 ILE 50 -7.827 11.046 9.329 395 2HD1 ILE 50 2HD1 ILE 50 -7.894 9.661 8.240 396 3HD1 ILE 50 3HD1 ILE 50 -7.337 11.225 7.645 397 H THR 51 H THR 51 -4.460 9.879 12.851 398 HA THR 51 HA THR 51 -4.578 7.367 14.000 399 HB THR 51 HB THR 51 -3.500 9.759 15.446 400 HG1 THR 51 1HG THR 51 -1.543 9.034 14.057 401 1HG2 THR 51 1HG2 THR 51 -3.362 7.623 16.606 402 2HG2 THR 51 2HG2 THR 51 -1.754 8.158 16.115 403 3HG2 THR 51 3HG2 THR 51 -2.581 6.896 15.202 404 H ASN 52 H ASN 52 -5.913 10.437 15.251 405 HA ASN 52 HA ASN 52 -6.898 9.231 17.661 406 1HB ASN 52 2HB ASN 52 -7.688 11.343 18.256 407 2HB ASN 52 1HB ASN 52 -6.338 11.742 17.203 408 1HD2 ASN 52 1HD2 ASN 52 -6.749 12.603 15.158 409 2HD2 ASN 52 2HD2 ASN 52 -8.304 13.232 14.725 410 H ASN 53 H ASN 53 -7.990 9.435 14.454 411 HA ASN 53 HA ASN 53 -10.802 9.133 14.998 412 1HB ASN 53 2HB ASN 53 -10.013 10.254 12.958 413 2HB ASN 53 1HB ASN 53 -9.214 8.775 12.440 414 1HD2 ASN 53 1HD2 ASN 53 -10.440 7.095 11.613 415 2HD2 ASN 53 2HD2 ASN 53 -12.092 7.301 11.154 416 H VAL 54 H VAL 54 -8.050 7.092 14.470 417 HA VAL 54 HA VAL 54 -9.371 4.661 13.859 418 HB VAL 54 HB VAL 54 -6.669 5.079 15.166 419 1HG1 VAL 54 1HG1 VAL 54 -7.447 2.780 15.393 420 2HG1 VAL 54 2HG1 VAL 54 -6.090 2.884 14.274 421 3HG1 VAL 54 3HG1 VAL 54 -7.729 2.695 13.654 422 1HG2 VAL 54 1HG2 VAL 54 -5.755 4.892 12.892 423 2HG2 VAL 54 2HG2 VAL 54 -6.823 6.284 13.063 424 3HG2 VAL 54 3HG2 VAL 54 -7.395 4.830 12.247 425 H LYS 55 H LYS 55 -9.436 6.476 16.632 426 HA LYS 55 HA LYS 55 -9.132 4.622 18.717 427 1HB LYS 55 2HB LYS 55 -9.335 7.215 18.744 428 2HB LYS 55 1HB LYS 55 -11.059 6.909 18.862 429 1HG LYS 55 2HG LYS 55 -10.739 5.665 20.913 430 2HG LYS 55 1HG LYS 55 -8.991 5.873 20.787 431 1HD LYS 55 2HD LYS 55 -11.021 8.080 21.104 432 2HD LYS 55 1HD LYS 55 -9.960 7.462 22.368 433 1HE LYS 55 2HE LYS 55 -9.118 8.865 19.834 434 2HE LYS 55 1HE LYS 55 -9.077 9.532 21.464 435 1HZ LYS 55 1HZ LYS 55 -7.520 7.618 21.993 436 2HZ LYS 55 2HZ LYS 55 -6.905 8.860 21.016 437 3HZ LYS 55 3HZ LYS 55 -7.386 7.394 20.315 438 H ASN 56 H ASN 56 -11.645 5.006 16.422 439 HA ASN 56 HA ASN 56 -13.819 3.859 17.797 440 1HB ASN 56 2HB ASN 56 -14.100 4.897 15.598 441 2HB ASN 56 1HB ASN 56 -13.084 3.662 14.864 442 1HD2 ASN 56 1HD2 ASN 56 -16.206 4.435 16.100 443 2HD2 ASN 56 2HD2 ASN 56 -17.003 2.975 15.607 444 H LYS 57 H LYS 57 -11.266 2.399 15.849 445 HA LYS 57 HA LYS 57 -12.008 -0.249 16.794 446 1HB LYS 57 2HB LYS 57 -10.687 0.887 14.406 447 2HB LYS 57 1HB LYS 57 -10.082 -0.660 14.963 448 1HG LYS 57 2HG LYS 57 -12.988 -0.128 14.443 449 2HG LYS 57 1HG LYS 57 -11.878 -0.753 13.224 450 1HD LYS 57 2HD LYS 57 -11.383 -2.673 14.612 451 2HD LYS 57 1HD LYS 57 -12.391 -2.029 15.905 452 1HE LYS 57 2HE LYS 57 -14.361 -2.240 14.485 453 2HE LYS 57 1HE LYS 57 -13.355 -2.848 13.169 454 1HZ LYS 57 1HZ LYS 57 -14.533 -4.580 14.521 455 2HZ LYS 57 2HZ LYS 57 -13.518 -4.173 15.818 456 3HZ LYS 57 3HZ LYS 57 -12.856 -4.791 14.383 457 H GLY 58 H GLY 58 -9.656 -1.587 16.570 458 1HA GLY 58 2HA GLY 58 -8.038 -0.339 18.695 459 2HA GLY 58 1HA GLY 58 -8.173 -2.068 18.409 460 H ARG 59 H ARG 59 -7.979 -0.736 15.430 461 HA ARG 59 HA ARG 59 -5.312 0.083 15.165 462 1HB ARG 59 2HB ARG 59 -5.350 -2.589 15.668 463 2HB ARG 59 1HB ARG 59 -5.480 -2.593 13.914 464 1HG ARG 59 2HG ARG 59 -3.160 -2.770 14.674 465 2HG ARG 59 1HG ARG 59 -3.438 -1.308 13.728 466 1HD ARG 59 2HD ARG 59 -3.590 0.006 15.778 467 2HD ARG 59 1HD ARG 59 -3.369 -1.453 16.741 468 HE ARG 59 HE ARG 59 -1.181 -1.291 15.050 469 1HH1 ARG 59 1HH1 ARG 59 -2.601 0.651 17.601 470 2HH1 ARG 59 2HH1 ARG 59 -1.071 1.268 18.160 471 1HH2 ARG 59 1HH2 ARG 59 0.835 -0.463 15.769 472 2HH2 ARG 59 2HH2 ARG 59 0.877 0.653 17.107 473 H TRP 60 H TRP 60 -4.712 -0.707 12.601 474 HA TRP 60 HA TRP 60 -6.873 0.595 11.104 475 1HB TRP 60 2HB TRP 60 -4.007 0.050 10.294 476 2HB TRP 60 1HB TRP 60 -5.172 0.990 9.378 477 HD1 TRP 60 HD TRP 60 -4.070 1.297 13.104 478 HE1 TRP 60 1HE TRP 60 -3.312 3.722 13.495 479 HE3 TRP 60 3HE TRP 60 -4.697 3.107 8.373 480 HZ2 TRP 60 2HZ TRP 60 -3.015 6.093 11.994 481 HZ3 TRP 60 3HZ TRP 60 -4.153 5.462 7.930 482 HH2 TRP 60 HH TRP 60 -3.327 6.922 9.701 483 H LYS 61 H LYS 61 -7.177 -0.212 8.802 484 HA LYS 61 HA LYS 61 -6.054 -2.648 7.981 485 1HB LYS 61 2HB LYS 61 -7.864 -3.376 9.688 486 2HB LYS 61 1HB LYS 61 -8.997 -2.981 8.396 487 1HG LYS 61 2HG LYS 61 -7.696 -4.486 6.897 488 2HG LYS 61 1HG LYS 61 -6.753 -4.973 8.301 489 1HD LYS 61 2HD LYS 61 -8.901 -5.676 9.384 490 2HD LYS 61 1HD LYS 61 -9.698 -5.379 7.835 491 1HE LYS 61 2HE LYS 61 -7.511 -7.364 8.425 492 2HE LYS 61 1HE LYS 61 -9.175 -7.707 7.955 493 1HZ LYS 61 1HZ LYS 61 -7.543 -7.947 6.132 494 2HZ LYS 61 2HZ LYS 61 -7.224 -6.287 6.222 495 3HZ LYS 61 3HZ LYS 61 -8.769 -6.831 5.788 496 H SER 62 H SER 62 -9.024 -0.739 7.555 497 HA SER 62 HA SER 62 -8.362 -0.477 4.727 498 1HB SER 62 2HB SER 62 -10.768 -1.119 4.162 499 2HB SER 62 1HB SER 62 -9.685 -2.431 4.627 500 HG SER 62 HG SER 62 -11.744 -2.518 5.690 501 H GLU 63 H GLU 63 -11.180 0.180 6.826 502 HA GLU 63 HA GLU 63 -12.123 2.426 5.552 503 1HB GLU 63 2HB GLU 63 -13.261 1.205 7.391 504 2HB GLU 63 1HB GLU 63 -12.150 1.942 8.536 505 1HG GLU 63 2HG GLU 63 -14.133 3.185 8.667 506 2HG GLU 63 1HG GLU 63 -13.005 4.176 7.746 507 H ASN 64 H ASN 64 -9.823 2.355 8.257 508 HA ASN 64 HA ASN 64 -9.493 5.123 8.486 509 1HB ASN 64 2HB ASN 64 -7.755 2.795 9.296 510 2HB ASN 64 1HB ASN 64 -7.382 4.462 9.702 511 1HD2 ASN 64 1HD2 ASN 64 -8.028 2.165 11.428 512 2HD2 ASN 64 2HD2 ASN 64 -9.375 2.672 12.380 513 H LEU 65 H LEU 65 -8.073 2.801 6.317 514 HA LEU 65 HA LEU 65 -5.778 4.373 5.626 515 1HB LEU 65 2HB LEU 65 -7.075 1.990 4.310 516 2HB LEU 65 1HB LEU 65 -5.612 2.747 3.707 517 HG LEU 65 HG LEU 65 -5.901 1.489 6.437 518 1HD1 LEU 65 1HD1 LEU 65 -5.994 -0.171 4.665 519 2HD1 LEU 65 2HD1 LEU 65 -4.459 -0.263 5.528 520 3HD1 LEU 65 3HD1 LEU 65 -4.533 0.502 3.940 521 1HD2 LEU 65 1HD2 LEU 65 -3.490 2.560 4.978 522 2HD2 LEU 65 2HD2 LEU 65 -3.480 1.755 6.548 523 3HD2 LEU 65 3HD2 LEU 65 -4.278 3.318 6.363 524 H PHE 66 H PHE 66 -8.996 3.888 4.305 525 HA PHE 66 HA PHE 66 -8.593 5.247 1.866 526 1HB PHE 66 2HB PHE 66 -10.528 3.718 2.440 527 2HB PHE 66 1HB PHE 66 -11.199 5.039 3.392 528 HD1 PHE 66 1HD PHE 66 -10.195 4.045 -0.020 529 HD2 PHE 66 2HD PHE 66 -12.432 6.751 2.378 530 HE1 PHE 66 1HE PHE 66 -11.284 4.926 -2.042 531 HE2 PHE 66 2HE PHE 66 -13.520 7.645 0.361 532 HZ PHE 66 HZ PHE 66 -12.948 6.728 -1.852 533 H LYS 67 H LYS 67 -9.488 6.313 5.091 534 HA LYS 67 HA LYS 67 -9.964 9.039 4.339 535 1HB LYS 67 2HB LYS 67 -10.635 7.632 6.503 536 2HB LYS 67 1HB LYS 67 -9.147 8.334 7.112 537 1HG LYS 67 2HG LYS 67 -9.995 10.577 6.569 538 2HG LYS 67 1HG LYS 67 -11.513 9.851 6.038 539 1HD LYS 67 2HD LYS 67 -11.859 8.944 8.290 540 2HD LYS 67 1HD LYS 67 -10.351 9.698 8.819 541 1HE LYS 67 2HE LYS 67 -11.291 11.907 8.222 542 2HE LYS 67 1HE LYS 67 -12.808 11.117 7.789 543 1HZ LYS 67 1HZ LYS 67 -12.979 10.325 10.086 544 2HZ LYS 67 2HZ LYS 67 -12.938 12.020 10.003 545 3HZ LYS 67 3HZ LYS 67 -11.554 11.165 10.483 546 H ALA 68 H ALA 68 -7.313 7.200 5.684 547 HA ALA 68 HA ALA 68 -5.505 9.244 6.239 548 1HB ALA 68 1HB ALA 68 -4.825 6.473 5.268 549 2HB ALA 68 2HB ALA 68 -5.220 6.896 6.935 550 3HB ALA 68 3HB ALA 68 -3.773 7.562 6.175 551 H SER 69 H SER 69 -6.034 7.499 3.192 552 HA SER 69 HA SER 69 -3.882 8.639 1.781 553 1HB SER 69 2HB SER 69 -5.231 7.930 -0.259 554 2HB SER 69 1HB SER 69 -4.834 6.661 0.897 555 HG SER 69 HG SER 69 -7.268 8.064 1.099 556 H LYS 70 H LYS 70 -7.034 9.863 2.546 557 HA LYS 70 HA LYS 70 -7.299 11.858 0.587 558 1HB LYS 70 2HB LYS 70 -8.876 11.024 2.564 559 2HB LYS 70 1HB LYS 70 -8.162 12.389 3.400 560 1HG LYS 70 2HG LYS 70 -9.479 12.663 0.715 561 2HG LYS 70 1HG LYS 70 -10.370 12.790 2.232 562 1HD LYS 70 2HD LYS 70 -8.892 14.628 2.922 563 2HD LYS 70 1HD LYS 70 -8.041 14.507 1.382 564 1HE LYS 70 2HE LYS 70 -9.675 16.321 1.357 565 2HE LYS 70 1HE LYS 70 -10.088 15.067 0.190 566 1HZ LYS 70 1HZ LYS 70 -11.286 15.242 2.903 567 2HZ LYS 70 2HZ LYS 70 -11.781 14.244 1.619 568 3HZ LYS 70 3HZ LYS 70 -11.987 15.924 1.517 569 H LEU 71 H LEU 71 -5.715 11.812 3.720 570 HA LEU 71 HA LEU 71 -4.597 14.457 3.414 571 1HB LEU 71 2HB LEU 71 -3.988 12.283 5.423 572 2HB LEU 71 1HB LEU 71 -3.414 13.935 5.512 573 HG LEU 71 HG LEU 71 -6.282 13.030 5.735 574 1HD1 LEU 71 1HD1 LEU 71 -6.085 13.887 8.026 575 2HD1 LEU 71 2HD1 LEU 71 -4.374 14.214 7.746 576 3HD1 LEU 71 3HD1 LEU 71 -4.972 12.555 7.718 577 1HD2 LEU 71 1HD2 LEU 71 -6.799 15.370 6.194 578 2HD2 LEU 71 2HD2 LEU 71 -6.117 15.179 4.578 579 3HD2 LEU 71 3HD2 LEU 71 -5.118 15.809 5.888 580 H LEU 72 H LEU 72 -1.973 13.836 4.475 581 HA LEU 72 HA LEU 72 0.150 13.352 3.816 582 1HB LEU 72 2HB LEU 72 -1.189 11.319 2.030 583 2HB LEU 72 1HB LEU 72 0.543 11.447 2.267 584 HG LEU 72 HG LEU 72 -1.421 10.842 4.482 585 1HD1 LEU 72 1HD1 LEU 72 -1.424 9.057 2.817 586 2HD1 LEU 72 2HD1 LEU 72 -0.632 8.537 4.304 587 3HD1 LEU 72 3HD1 LEU 72 0.336 8.972 2.894 588 1HD2 LEU 72 1HD2 LEU 72 0.662 11.857 5.239 589 2HD2 LEU 72 2HD2 LEU 72 1.588 10.656 4.336 590 3HD2 LEU 72 3HD2 LEU 72 0.587 10.156 5.701 591 H ARG 73 H ARG 73 -2.156 14.616 1.842 592 HA ARG 73 HA ARG 73 -0.872 14.792 -0.667 593 1HB ARG 73 2HB ARG 73 -3.334 15.123 -0.101 594 2HB ARG 73 1HB ARG 73 -2.896 16.730 0.456 595 1HG ARG 73 2HG ARG 73 -2.051 17.243 -1.808 596 2HG ARG 73 1HG ARG 73 -2.610 15.652 -2.339 597 1HD ARG 73 2HD ARG 73 -4.893 16.300 -1.508 598 2HD ARG 73 1HD ARG 73 -4.269 17.931 -1.285 599 HE ARG 73 HE ARG 73 -4.403 16.560 -3.898 600 1HH1 ARG 73 1HH1 ARG 73 -4.528 19.452 -1.925 601 2HH1 ARG 73 2HH1 ARG 73 -5.077 20.469 -3.225 602 1HH2 ARG 73 1HH2 ARG 73 -5.104 17.889 -5.607 603 2HH2 ARG 73 2HH2 ARG 73 -5.398 19.577 -5.332 604 H SER 74 H SER 74 -0.345 16.379 2.289 605 HA SER 74 HA SER 74 0.665 18.861 1.426 606 1HB SER 74 2HB SER 74 1.633 17.348 3.850 607 2HB SER 74 1HB SER 74 1.505 19.094 3.632 608 HG SER 74 HG SER 74 -0.805 18.788 3.508 609 H ASN 75 H ASN 75 2.022 15.655 1.507 610 HA ASN 75 HA ASN 75 4.736 16.562 1.067 611 1HB ASN 75 2HB ASN 75 3.428 13.857 1.302 612 2HB ASN 75 1HB ASN 75 5.086 14.033 0.773 613 1HD2 ASN 75 1HD2 ASN 75 2.896 14.251 3.426 614 2HD2 ASN 75 2HD2 ASN 75 4.089 14.395 4.672 615 H ASN 76 H ASN 76 2.138 14.938 -0.676 616 HA ASN 76 HA ASN 76 3.052 15.865 -3.223 617 1HB ASN 76 2HB ASN 76 4.549 13.867 -2.703 618 2HB ASN 76 1HB ASN 76 3.099 12.871 -2.766 619 1HD2 ASN 76 1HD2 ASN 76 5.504 12.818 -4.392 620 2HD2 ASN 76 2HD2 ASN 76 4.991 13.039 -6.039 621 H THR 77 H THR 77 1.327 15.958 -4.601 622 HA THR 77 HA THR 77 -1.253 15.370 -3.529 623 HB THR 77 HB THR 77 -2.060 16.220 -5.751 624 HG1 THR 77 1HG THR 77 0.718 16.717 -6.200 625 1HG2 THR 77 1HG2 THR 77 -1.346 18.529 -5.373 626 2HG2 THR 77 2HG2 THR 77 -0.055 17.960 -4.316 627 3HG2 THR 77 3HG2 THR 77 -1.741 17.731 -3.850 628 H GLU 78 H GLU 78 0.978 13.590 -5.396 629 HA GLU 78 HA GLU 78 -0.927 12.056 -6.888 630 1HB GLU 78 2HB GLU 78 2.029 11.720 -6.418 631 2HB GLU 78 1HB GLU 78 1.082 10.718 -7.499 632 1HG GLU 78 2HG GLU 78 0.538 12.653 -8.857 633 2HG GLU 78 1HG GLU 78 1.438 13.689 -7.752 634 H ILE 79 H ILE 79 0.251 11.906 -3.701 635 HA ILE 79 HA ILE 79 0.561 9.172 -3.277 636 HB ILE 79 HB ILE 79 -0.355 11.268 -1.301 637 1HG1 ILE 79 2HG1 ILE 79 2.372 10.075 -1.871 638 2HG1 ILE 79 1HG1 ILE 79 1.849 11.694 -2.321 639 1HG2 ILE 79 1HG2 ILE 79 -0.957 9.044 -0.515 640 2HG2 ILE 79 2HG2 ILE 79 0.383 9.691 0.432 641 3HG2 ILE 79 3HG2 ILE 79 0.687 8.478 -0.811 642 1HD1 ILE 79 1HD1 ILE 79 2.179 10.641 0.479 643 2HD1 ILE 79 2HD1 ILE 79 1.616 12.256 0.049 644 3HD1 ILE 79 3HD1 ILE 79 3.258 11.759 -0.359 645 HA PRO 80 HA PRO 80 -4.175 8.974 -1.904 646 1HB PRO 80 2HB PRO 80 -5.651 10.854 -3.348 647 2HB PRO 80 1HB PRO 80 -5.273 10.943 -1.627 648 1HG PRO 80 2HG PRO 80 -3.931 12.273 -3.935 649 2HG PRO 80 1HG PRO 80 -4.238 12.891 -2.301 650 1HD PRO 80 2HD PRO 80 -1.805 12.063 -3.033 651 2HD PRO 80 1HD PRO 80 -2.425 11.754 -1.398 652 H ILE 81 H ILE 81 -3.160 10.117 -5.072 653 HA ILE 81 HA ILE 81 -5.108 8.714 -6.579 654 HB ILE 81 HB ILE 81 -2.392 9.706 -7.456 655 1HG1 ILE 81 2HG1 ILE 81 -5.100 11.050 -7.632 656 2HG1 ILE 81 1HG1 ILE 81 -3.831 11.477 -6.487 657 1HG2 ILE 81 1HG2 ILE 81 -3.311 8.082 -9.010 658 2HG2 ILE 81 2HG2 ILE 81 -3.352 9.698 -9.716 659 3HG2 ILE 81 3HG2 ILE 81 -4.829 8.979 -9.075 660 1HD1 ILE 81 1HD1 ILE 81 -2.380 12.115 -8.341 661 2HD1 ILE 81 2HD1 ILE 81 -3.892 13.023 -8.350 662 3HD1 ILE 81 3HD1 ILE 81 -3.656 11.694 -9.485 663 H LEU 82 H LEU 82 -1.797 7.984 -5.602 664 HA LEU 82 HA LEU 82 -1.489 5.627 -7.112 665 1HB LEU 82 2HB LEU 82 -0.193 6.394 -4.496 666 2HB LEU 82 1HB LEU 82 0.375 5.143 -5.588 667 HG LEU 82 HG LEU 82 0.220 8.082 -6.268 668 1HD1 LEU 82 1HD1 LEU 82 1.918 7.678 -4.583 669 2HD1 LEU 82 2HD1 LEU 82 2.663 8.040 -6.139 670 3HD1 LEU 82 3HD1 LEU 82 2.601 6.376 -5.558 671 1HD2 LEU 82 1HD2 LEU 82 -0.037 6.658 -8.217 672 2HD2 LEU 82 2HD2 LEU 82 1.412 5.758 -7.771 673 3HD2 LEU 82 3HD2 LEU 82 1.534 7.455 -8.235 674 H TRP 83 H TRP 83 -2.493 6.116 -3.734 675 HA TRP 83 HA TRP 83 -3.045 3.415 -3.135 676 1HB TRP 83 2HB TRP 83 -2.898 5.068 -1.375 677 2HB TRP 83 1HB TRP 83 -4.252 5.968 -2.049 678 HD1 TRP 83 HD TRP 83 -6.454 5.557 -0.826 679 HE1 TRP 83 1HE TRP 83 -7.457 3.667 0.599 680 HE3 TRP 83 3HE TRP 83 -2.661 2.152 -1.191 681 HZ2 TRP 83 2HZ TRP 83 -6.743 1.077 1.449 682 HZ3 TRP 83 3HZ TRP 83 -2.908 -0.001 -0.064 683 HH2 TRP 83 HH TRP 83 -4.906 -0.534 1.235 684 H LYS 84 H LYS 84 -5.076 6.006 -4.430 685 HA LYS 84 HA LYS 84 -7.525 4.687 -4.487 686 1HB LYS 84 2HB LYS 84 -7.002 7.138 -4.964 687 2HB LYS 84 1HB LYS 84 -6.590 6.635 -6.593 688 1HG LYS 84 2HG LYS 84 -8.826 7.480 -6.585 689 2HG LYS 84 1HG LYS 84 -8.881 5.736 -6.852 690 1HD LYS 84 2HD LYS 84 -9.461 5.367 -4.524 691 2HD LYS 84 1HD LYS 84 -9.313 7.095 -4.190 692 1HE LYS 84 2HE LYS 84 -11.288 5.854 -6.107 693 2HE LYS 84 1HE LYS 84 -11.656 6.361 -4.459 694 1HZ LYS 84 1HZ LYS 84 -12.299 8.023 -6.119 695 2HZ LYS 84 2HZ LYS 84 -10.686 8.166 -6.611 696 3HZ LYS 84 3HZ LYS 84 -11.135 8.626 -5.046 697 H SER 85 H SER 85 -4.873 4.652 -6.810 698 HA SER 85 HA SER 85 -6.241 3.268 -8.861 699 1HB SER 85 2HB SER 85 -3.268 3.352 -8.312 700 2HB SER 85 1HB SER 85 -4.039 2.945 -9.846 701 HG SER 85 HG SER 85 -4.117 5.452 -8.496 702 H ALA 86 H ALA 86 -4.088 2.142 -6.253 703 HA ALA 86 HA ALA 86 -4.231 -0.615 -6.961 704 1HB ALA 86 1HB ALA 86 -3.620 0.639 -4.276 705 2HB ALA 86 2HB ALA 86 -2.446 0.303 -5.548 706 3HB ALA 86 3HB ALA 86 -3.282 -1.028 -4.745 707 H TRP 87 H TRP 87 -6.082 1.455 -4.784 708 HA TRP 87 HA TRP 87 -7.831 -0.409 -3.687 709 1HB TRP 87 2HB TRP 87 -7.843 1.920 -2.983 710 2HB TRP 87 1HB TRP 87 -8.322 2.443 -4.586 711 HD1 TRP 87 HD TRP 87 -10.802 2.678 -5.028 712 HE1 TRP 87 1HE TRP 87 -12.966 2.155 -3.731 713 HE3 TRP 87 3HE TRP 87 -8.774 0.053 -1.156 714 HZ2 TRP 87 2HZ TRP 87 -13.701 0.804 -1.351 715 HZ3 TRP 87 3HZ TRP 87 -10.268 -0.820 0.593 716 HH2 TRP 87 HH TRP 87 -12.681 -0.450 0.495 717 H THR 88 H THR 88 -8.069 1.388 -6.725 718 HA THR 88 HA THR 88 -10.528 0.457 -7.617 719 HB THR 88 HB THR 88 -8.142 1.244 -9.309 720 HG1 THR 88 1HG THR 88 -8.814 2.845 -7.749 721 1HG2 THR 88 1HG2 THR 88 -9.844 1.851 -10.987 722 2HG2 THR 88 2HG2 THR 88 -11.105 1.208 -9.936 723 3HG2 THR 88 3HG2 THR 88 -9.888 0.128 -10.618 724 H LEU 89 H LEU 89 -7.282 -0.884 -8.300 725 HA LEU 89 HA LEU 89 -8.357 -2.855 -10.034 726 1HB LEU 89 2HB LEU 89 -6.094 -3.849 -10.017 727 2HB LEU 89 1HB LEU 89 -6.147 -2.171 -10.480 728 HG LEU 89 HG LEU 89 -5.318 -1.603 -8.165 729 1HD1 LEU 89 1HD1 LEU 89 -4.238 -3.368 -6.882 730 2HD1 LEU 89 2HD1 LEU 89 -4.815 -4.576 -8.031 731 3HD1 LEU 89 3HD1 LEU 89 -5.968 -3.685 -7.037 732 1HD2 LEU 89 1HD2 LEU 89 -3.020 -2.262 -8.671 733 2HD2 LEU 89 2HD2 LEU 89 -3.861 -1.632 -10.087 734 3HD2 LEU 89 3HD2 LEU 89 -3.616 -3.369 -9.905 735 H HIS 90 H HIS 90 -7.923 -2.757 -6.603 736 HA HIS 90 HA HIS 90 -8.096 -5.644 -6.369 737 1HB HIS 90 2HB HIS 90 -6.748 -4.245 -4.766 738 2HB HIS 90 1HB HIS 90 -8.266 -3.615 -4.133 739 HD1 HIS 90 1HD HIS 90 -6.160 -6.717 -4.212 740 HD2 HIS 90 2HD HIS 90 -9.705 -5.375 -2.500 741 HE1 HIS 90 1HE HIS 90 -6.789 -8.457 -2.509 742 HE2 HIS 90 2HE HIS 90 -9.055 -7.736 -1.672 743 H VAL 91 H VAL 91 -10.221 -2.899 -6.334 744 HA VAL 91 HA VAL 91 -12.430 -4.085 -5.044 745 HB VAL 91 HB VAL 91 -12.341 -1.907 -7.143 746 1HG1 VAL 91 1HG1 VAL 91 -14.528 -3.012 -7.202 747 2HG1 VAL 91 2HG1 VAL 91 -14.660 -1.395 -6.510 748 3HG1 VAL 91 3HG1 VAL 91 -14.686 -2.810 -5.457 749 1HG2 VAL 91 1HG2 VAL 91 -12.779 -0.431 -5.242 750 2HG2 VAL 91 2HG2 VAL 91 -11.284 -1.341 -5.019 751 3HG2 VAL 91 3HG2 VAL 91 -12.745 -1.818 -4.154 752 H GLU 92 H GLU 92 -11.699 -3.753 -8.515 753 HA GLU 92 HA GLU 92 -12.413 -4.891 -10.350 754 1HB GLU 92 2HB GLU 92 -11.131 -6.689 -9.305 755 2HB GLU 92 1HB GLU 92 -12.523 -7.155 -8.342 756 1HG GLU 92 2HG GLU 92 -13.718 -7.735 -10.432 757 2HG GLU 92 1HG GLU 92 -12.247 -7.370 -11.333 758 H GLY 93 H GLY 93 -14.340 -3.608 -10.466 759 1HA GLY 93 2HA GLY 93 -16.775 -5.144 -9.949 760 2HA GLY 93 1HA GLY 93 -16.610 -3.617 -9.100 761 H PHE 94 H PHE 94 -15.182 -3.621 -12.204 762 HA PHE 94 HA PHE 94 -17.613 -2.364 -13.305 763 1HB PHE 94 2HB PHE 94 -15.749 -0.767 -12.958 764 2HB PHE 94 1HB PHE 94 -14.743 -1.736 -14.029 765 HD1 PHE 94 1HD PHE 94 -17.873 0.245 -13.909 766 HD2 PHE 94 2HD PHE 94 -14.784 -1.391 -16.339 767 HE1 PHE 94 1HE PHE 94 -18.722 1.513 -15.839 768 HE2 PHE 94 2HE PHE 94 -15.632 -0.132 -18.273 769 HZ PHE 94 HZ PHE 94 -17.603 1.323 -18.023 770 H HIS 95 H HIS 95 -14.566 -3.560 -14.715 771 HA HIS 95 HA HIS 95 -16.001 -5.676 -16.109 772 1HB HIS 95 2HB HIS 95 -16.103 -3.486 -17.493 773 2HB HIS 95 1HB HIS 95 -14.383 -3.737 -17.759 774 HD1 HIS 95 1HD HIS 95 -13.758 -5.261 -19.653 775 HD2 HIS 95 2HD HIS 95 -17.740 -5.662 -18.518 776 HE1 HIS 95 1HE HIS 95 -14.797 -6.796 -21.349 777 HE2 HIS 95 2HE HIS 95 -17.243 -6.874 -20.749 778 H GLU 96 H GLU 96 -13.950 -5.416 -14.076 779 HA GLU 96 HA GLU 96 -11.418 -5.986 -15.339 780 1HB GLU 96 2HB GLU 96 -12.235 -6.019 -12.426 781 2HB GLU 96 1HB GLU 96 -10.593 -6.234 -13.008 782 1HG GLU 96 2HG GLU 96 -10.787 -4.001 -12.255 783 2HG GLU 96 1HG GLU 96 -10.738 -3.947 -14.015 784 H LEU 97 H LEU 97 -11.443 -7.933 -16.366 785 HA LEU 97 HA LEU 97 -12.316 -10.291 -14.893 786 1HB LEU 97 2HB LEU 97 -11.333 -9.873 -17.709 787 2HB LEU 97 1HB LEU 97 -11.468 -11.477 -17.019 788 HG LEU 97 HG LEU 97 -13.415 -11.106 -18.320 789 1HD1 LEU 97 1HD1 LEU 97 -15.208 -11.274 -16.673 790 2HD1 LEU 97 2HD1 LEU 97 -14.108 -10.703 -15.420 791 3HD1 LEU 97 3HD1 LEU 97 -13.809 -12.247 -16.217 792 1HD2 LEU 97 1HD2 LEU 97 -13.853 -8.549 -16.788 793 2HD2 LEU 97 2HD2 LEU 97 -14.918 -9.219 -18.023 794 3HD2 LEU 97 3HD2 LEU 97 -13.301 -8.666 -18.458 795 H SER 98 H SER 98 -10.746 -10.036 -13.211 796 HA SER 98 HA SER 98 -8.846 -10.636 -12.122 797 1HB SER 98 2HB SER 98 -8.068 -12.049 -14.686 798 2HB SER 98 1HB SER 98 -7.402 -12.340 -13.077 799 HG SER 98 HG SER 98 -10.166 -12.522 -13.372 800 H LEU 99 H LEU 99 -9.071 -8.311 -14.045 801 HA LEU 99 HA LEU 99 -7.889 -6.427 -14.441 802 1HB LEU 99 2HB LEU 99 -5.708 -7.855 -12.940 803 2HB LEU 99 1HB LEU 99 -5.652 -6.169 -13.415 804 HG LEU 99 HG LEU 99 -7.643 -7.388 -11.500 805 1HD1 LEU 99 1HD1 LEU 99 -5.276 -5.589 -11.010 806 2HD1 LEU 99 2HD1 LEU 99 -5.399 -7.291 -10.566 807 3HD1 LEU 99 3HD1 LEU 99 -6.451 -6.102 -9.797 808 1HD2 LEU 99 1HD2 LEU 99 -8.299 -5.071 -11.056 809 2HD2 LEU 99 2HD2 LEU 99 -8.595 -5.517 -12.735 810 3HD2 LEU 99 3HD2 LEU 99 -7.202 -4.519 -12.323 811 H ASN 100 H ASN 100 -5.906 -5.583 -15.595 812 HA ASN 100 HA ASN 100 -5.020 -7.538 -17.607 813 1HB ASN 100 2HB ASN 100 -4.821 -4.526 -17.742 814 2HB ASN 100 1HB ASN 100 -4.401 -5.653 -19.019 815 1HD2 ASN 100 1HD2 ASN 100 -6.918 -3.931 -17.455 816 2HD2 ASN 100 2HD2 ASN 100 -8.207 -4.454 -18.484 817 H GLU 101 H GLU 101 -2.824 -7.666 -18.133 818 HA GLU 101 HA GLU 101 -1.162 -7.761 -15.867 819 1HB GLU 101 2HB GLU 101 -0.995 -9.176 -17.943 820 2HB GLU 101 1HB GLU 101 -0.268 -7.798 -18.749 821 1HG GLU 101 2HG GLU 101 1.529 -7.818 -17.041 822 2HG GLU 101 1HG GLU 101 0.829 -9.300 -16.389 823 H LYS 102 H LYS 102 -1.326 -5.468 -18.550 824 HA LYS 102 HA LYS 102 0.914 -3.940 -18.030 825 1HB LYS 102 2HB LYS 102 -0.489 -3.711 -20.021 826 2HB LYS 102 1HB LYS 102 -1.795 -3.073 -19.042 827 1HG LYS 102 2HG LYS 102 -0.498 -1.139 -18.487 828 2HG LYS 102 1HG LYS 102 0.890 -1.783 -19.361 829 1HD LYS 102 2HD LYS 102 -1.777 -1.151 -20.624 830 2HD LYS 102 1HD LYS 102 -0.392 -0.057 -20.628 831 1HE LYS 102 2HE LYS 102 -0.407 -2.842 -21.787 832 2HE LYS 102 1HE LYS 102 -0.600 -1.355 -22.717 833 1HZ LYS 102 1HZ LYS 102 1.777 -1.937 -21.034 834 2HZ LYS 102 2HZ LYS 102 1.585 -0.673 -22.149 835 3HZ LYS 102 3HZ LYS 102 1.692 -2.277 -22.693 836 H GLU 103 H GLU 103 -2.390 -3.530 -16.793 837 HA GLU 103 HA GLU 103 -1.855 -1.202 -15.316 838 1HB GLU 103 2HB GLU 103 -4.035 -3.269 -15.090 839 2HB GLU 103 1HB GLU 103 -3.993 -1.804 -14.127 840 1HG GLU 103 2HG GLU 103 -3.998 -0.472 -16.198 841 2HG GLU 103 1HG GLU 103 -4.139 -1.968 -17.122 842 H VAL 104 H VAL 104 -1.775 -4.629 -14.457 843 HA VAL 104 HA VAL 104 -1.325 -4.255 -11.688 844 HB VAL 104 HB VAL 104 -0.488 -6.580 -13.437 845 1HG1 VAL 104 1HG1 VAL 104 -0.804 -6.418 -10.441 846 2HG1 VAL 104 2HG1 VAL 104 0.721 -6.546 -11.318 847 3HG1 VAL 104 3HG1 VAL 104 -0.437 -7.877 -11.364 848 1HG2 VAL 104 1HG2 VAL 104 -2.888 -6.168 -13.532 849 2HG2 VAL 104 2HG2 VAL 104 -2.970 -6.183 -11.770 850 3HG2 VAL 104 3HG2 VAL 104 -2.542 -7.652 -12.646 851 H LYS 105 H LYS 105 0.866 -4.624 -14.451 852 HA LYS 105 HA LYS 105 3.217 -4.626 -12.849 853 1HB LYS 105 2HB LYS 105 2.747 -4.334 -15.804 854 2HB LYS 105 1HB LYS 105 4.358 -4.204 -15.104 855 1HG LYS 105 2HG LYS 105 4.127 -6.443 -14.149 856 2HG LYS 105 1HG LYS 105 2.517 -6.575 -14.855 857 1HD LYS 105 2HD LYS 105 3.420 -6.517 -17.074 858 2HD LYS 105 1HD LYS 105 5.032 -6.143 -16.458 859 1HE LYS 105 2HE LYS 105 5.161 -8.299 -15.375 860 2HE LYS 105 1HE LYS 105 3.509 -8.675 -15.856 861 1HZ LYS 105 1HZ LYS 105 5.246 -9.716 -17.259 862 2HZ LYS 105 2HZ LYS 105 5.721 -8.170 -17.773 863 3HZ LYS 105 3HZ LYS 105 4.166 -8.742 -18.133 864 H LYS 106 H LYS 106 1.365 -2.076 -14.402 865 HA LYS 106 HA LYS 106 3.266 -0.013 -13.917 866 1HB LYS 106 2HB LYS 106 0.253 0.114 -14.150 867 2HB LYS 106 1HB LYS 106 1.305 1.520 -14.088 868 1HG LYS 106 2HG LYS 106 2.351 0.859 -16.176 869 2HG LYS 106 1HG LYS 106 1.352 -0.597 -16.231 870 1HD LYS 106 2HD LYS 106 0.376 1.086 -17.661 871 2HD LYS 106 1HD LYS 106 -0.667 0.840 -16.258 872 1HE LYS 106 2HE LYS 106 0.649 2.813 -15.230 873 2HE LYS 106 1HE LYS 106 1.141 3.145 -16.891 874 1HZ LYS 106 1HZ LYS 106 -1.555 3.248 -15.702 875 2HZ LYS 106 2HZ LYS 106 -1.366 3.034 -17.373 876 3HZ LYS 106 3HZ LYS 106 -0.751 4.426 -16.623 877 H LEU 107 H LEU 107 0.340 -1.023 -12.178 878 HA LEU 107 HA LEU 107 0.556 0.814 -10.083 879 1HB LEU 107 2HB LEU 107 -1.117 -1.405 -10.793 880 2HB LEU 107 1HB LEU 107 -0.732 -1.484 -9.087 881 HG LEU 107 HG LEU 107 -2.757 -0.310 -9.195 882 1HD1 LEU 107 1HD1 LEU 107 -1.128 0.747 -7.722 883 2HD1 LEU 107 2HD1 LEU 107 -2.232 1.933 -8.416 884 3HD1 LEU 107 3HD1 LEU 107 -0.590 1.783 -9.044 885 1HD2 LEU 107 1HD2 LEU 107 -1.600 1.468 -11.342 886 2HD2 LEU 107 2HD2 LEU 107 -3.245 1.507 -10.695 887 3HD2 LEU 107 3HD2 LEU 107 -2.695 0.115 -11.627 888 H LYS 108 H LYS 108 1.946 -2.425 -10.440 889 HA LYS 108 HA LYS 108 2.593 -2.791 -7.732 890 1HB LYS 108 2HB LYS 108 4.137 -4.531 -8.452 891 2HB LYS 108 1HB LYS 108 2.610 -4.656 -9.302 892 1HG LYS 108 2HG LYS 108 3.983 -4.994 -11.056 893 2HG LYS 108 1HG LYS 108 3.968 -3.232 -11.105 894 1HD LYS 108 2HD LYS 108 6.084 -3.067 -10.137 895 2HD LYS 108 1HD LYS 108 6.022 -4.708 -9.493 896 1HE LYS 108 2HE LYS 108 7.545 -4.718 -11.325 897 2HE LYS 108 1HE LYS 108 6.082 -5.546 -11.849 898 1HZ LYS 108 1HZ LYS 108 5.414 -3.361 -12.875 899 2HZ LYS 108 2HZ LYS 108 6.728 -4.141 -13.599 900 3HZ LYS 108 3HZ LYS 108 6.993 -2.818 -12.581 901 H GLU 109 H GLU 109 4.275 -1.072 -10.289 902 HA GLU 109 HA GLU 109 6.539 -0.569 -8.568 903 1HB GLU 109 2HB GLU 109 5.845 0.242 -11.365 904 2HB GLU 109 1HB GLU 109 7.155 1.042 -10.500 905 1HG GLU 109 2HG GLU 109 8.236 -1.115 -10.138 906 2HG GLU 109 1HG GLU 109 6.929 -1.915 -11.004 907 H ASP 110 H ASP 110 3.568 1.034 -9.460 908 HA ASP 110 HA ASP 110 4.157 3.558 -8.342 909 1HB ASP 110 2HB ASP 110 1.606 2.064 -8.841 910 2HB ASP 110 1HB ASP 110 1.572 3.533 -7.873 911 H VAL 111 H VAL 111 2.728 0.632 -6.943 912 HA VAL 111 HA VAL 111 2.651 1.623 -4.281 913 HB VAL 111 HB VAL 111 2.627 -1.201 -5.357 914 1HG1 VAL 111 1HG1 VAL 111 3.528 -1.229 -3.085 915 2HG1 VAL 111 2HG1 VAL 111 1.903 -1.915 -3.130 916 3HG1 VAL 111 3HG1 VAL 111 2.153 -0.278 -2.522 917 1HG2 VAL 111 1HG2 VAL 111 0.248 -1.087 -4.734 918 2HG2 VAL 111 2HG2 VAL 111 0.686 0.128 -5.934 919 3HG2 VAL 111 3HG2 VAL 111 0.474 0.594 -4.247 920 H ARG 112 H ARG 112 5.108 0.018 -6.206 921 HA ARG 112 HA ARG 112 6.917 -0.593 -4.147 922 1HB ARG 112 2HB ARG 112 7.022 -1.273 -6.619 923 2HB ARG 112 1HB ARG 112 7.736 0.306 -6.908 924 1HG ARG 112 2HG ARG 112 9.622 -0.225 -5.526 925 2HG ARG 112 1HG ARG 112 8.875 -1.743 -5.021 926 1HD ARG 112 2HD ARG 112 8.893 -2.474 -7.398 927 2HD ARG 112 1HD ARG 112 9.781 -1.007 -7.801 928 HE ARG 112 HE ARG 112 11.439 -1.987 -6.038 929 1HH1 ARG 112 1HH1 ARG 112 9.552 -3.816 -8.351 930 2HH1 ARG 112 2HH1 ARG 112 10.753 -5.057 -8.549 931 1HH2 ARG 112 1HH2 ARG 112 13.035 -3.614 -6.310 932 2HH2 ARG 112 2HH2 ARG 112 12.720 -4.946 -7.387 933 H LYS 113 H LYS 113 6.284 2.382 -5.939 934 HA LYS 113 HA LYS 113 8.315 3.997 -4.885 935 1HB LYS 113 2HB LYS 113 5.514 4.588 -5.833 936 2HB LYS 113 1HB LYS 113 6.584 5.856 -5.259 937 1HG LYS 113 2HG LYS 113 7.755 5.885 -7.160 938 2HG LYS 113 1HG LYS 113 7.797 4.127 -7.272 939 1HD LYS 113 2HD LYS 113 6.597 5.188 -9.151 940 2HD LYS 113 1HD LYS 113 5.583 4.088 -8.221 941 1HE LYS 113 2HE LYS 113 4.311 6.054 -8.734 942 2HE LYS 113 1HE LYS 113 4.664 6.053 -7.008 943 1HZ LYS 113 1HZ LYS 113 4.945 8.228 -8.190 944 2HZ LYS 113 2HZ LYS 113 6.295 7.559 -8.975 945 3HZ LYS 113 3HZ LYS 113 6.285 7.718 -7.286 946 H LEU 114 H LEU 114 5.110 3.167 -3.643 947 HA LEU 114 HA LEU 114 5.202 4.793 -1.339 948 1HB LEU 114 2HB LEU 114 3.577 2.480 -2.275 949 2HB LEU 114 1HB LEU 114 3.516 2.900 -0.585 950 HG LEU 114 HG LEU 114 2.734 5.163 -1.172 951 1HD1 LEU 114 1HD1 LEU 114 3.786 5.341 -3.366 952 2HD1 LEU 114 2HD1 LEU 114 2.054 5.657 -3.456 953 3HD1 LEU 114 3HD1 LEU 114 2.697 4.103 -3.990 954 1HD2 LEU 114 1HD2 LEU 114 1.110 3.421 -0.687 955 2HD2 LEU 114 2HD2 LEU 114 1.124 2.919 -2.377 956 3HD2 LEU 114 3HD2 LEU 114 0.500 4.508 -1.935 957 H VAL 115 H VAL 115 6.082 1.435 -1.990 958 HA VAL 115 HA VAL 115 6.688 0.702 0.649 959 HB VAL 115 HB VAL 115 7.860 -0.373 -1.922 960 1HG1 VAL 115 1HG1 VAL 115 8.461 -2.355 -0.620 961 2HG1 VAL 115 2HG1 VAL 115 7.872 -1.572 0.846 962 3HG1 VAL 115 3HG1 VAL 115 9.272 -0.916 -0.003 963 1HG2 VAL 115 1HG2 VAL 115 6.219 -2.163 -1.682 964 2HG2 VAL 115 2HG2 VAL 115 5.421 -0.594 -1.782 965 3HG2 VAL 115 3HG2 VAL 115 5.587 -1.402 -0.222 966 H ILE 116 H ILE 116 8.850 1.826 -1.957 967 HA ILE 116 HA ILE 116 11.199 1.916 -0.450 968 HB ILE 116 HB ILE 116 10.392 3.792 -2.682 969 1HG1 ILE 116 2HG1 ILE 116 12.043 1.259 -2.813 970 2HG1 ILE 116 1HG1 ILE 116 10.344 1.359 -3.261 971 1HG2 ILE 116 1HG2 ILE 116 13.136 3.135 -1.604 972 2HG2 ILE 116 2HG2 ILE 116 12.268 4.649 -1.351 973 3HG2 ILE 116 3HG2 ILE 116 12.783 4.189 -2.974 974 1HD1 ILE 116 1HD1 ILE 116 11.764 1.437 -5.219 975 2HD1 ILE 116 2HD1 ILE 116 12.605 2.846 -4.571 976 3HD1 ILE 116 3HD1 ILE 116 10.902 2.963 -5.014 977 H PHE 117 H PHE 117 8.488 4.113 -0.632 978 HA PHE 117 HA PHE 117 9.842 6.318 0.598 979 1HB PHE 117 2HB PHE 117 7.741 6.324 -0.950 980 2HB PHE 117 1HB PHE 117 6.853 6.022 0.538 981 HD1 PHE 117 1HD PHE 117 6.888 7.703 2.358 982 HD2 PHE 117 2HD PHE 117 8.626 8.457 -1.451 983 HE1 PHE 117 1HE PHE 117 6.877 10.118 2.832 984 HE2 PHE 117 2HE PHE 117 8.619 10.870 -0.984 985 HZ PHE 117 HZ PHE 117 7.742 11.704 1.161 986 H ALA 118 H ALA 118 7.530 3.856 1.675 987 HA ALA 118 HA ALA 118 7.337 4.773 4.354 988 1HB ALA 118 1HB ALA 118 5.684 3.273 3.313 989 2HB ALA 118 2HB ALA 118 6.308 2.626 4.829 990 3HB ALA 118 3HB ALA 118 6.885 1.982 3.292 991 H VAL 119 H VAL 119 9.384 2.292 2.803 992 HA VAL 119 HA VAL 119 10.749 1.540 5.165 993 HB VAL 119 HB VAL 119 11.758 1.447 2.312 994 1HG1 VAL 119 1HG1 VAL 119 13.582 1.322 3.924 995 2HG1 VAL 119 2HG1 VAL 119 13.339 -0.224 3.110 996 3HG1 VAL 119 3HG1 VAL 119 12.760 0.005 4.761 997 1HG2 VAL 119 1HG2 VAL 119 10.438 -0.673 4.003 998 2HG2 VAL 119 2HG2 VAL 119 11.090 -0.908 2.379 999 3HG2 VAL 119 3HG2 VAL 119 9.712 0.164 2.632 1000 H ASN 120 H ASN 120 11.361 4.010 2.716 1001 HA ASN 120 HA ASN 120 13.805 5.006 3.664 1002 1HB ASN 120 2HB ASN 120 12.290 5.572 1.542 1003 2HB ASN 120 1HB ASN 120 11.759 6.889 2.578 1004 1HD2 ASN 120 1HD2 ASN 120 14.965 5.449 2.480 1005 2HD2 ASN 120 2HD2 ASN 120 15.768 6.859 1.861 1006 H SER 121 H SER 121 10.518 5.503 4.670 1007 HA SER 121 HA SER 121 10.974 7.714 6.383 1008 1HB SER 121 2HB SER 121 8.726 5.702 6.197 1009 2HB SER 121 1HB SER 121 8.676 7.144 7.194 1010 HG SER 121 HG SER 121 8.812 6.963 4.378 1011 H LEU 122 H LEU 122 11.097 4.230 6.771 1012 HA LEU 122 HA LEU 122 11.426 4.447 9.648 1013 1HB LEU 122 2HB LEU 122 11.153 2.191 7.725 1014 2HB LEU 122 1HB LEU 122 11.959 1.878 9.249 1015 HG LEU 122 HG LEU 122 9.939 2.692 10.447 1016 1HD1 LEU 122 1HD1 LEU 122 9.029 4.154 8.737 1017 2HD1 LEU 122 2HD1 LEU 122 7.843 2.940 9.216 1018 3HD1 LEU 122 3HD1 LEU 122 8.720 2.766 7.694 1019 1HD2 LEU 122 1HD2 LEU 122 9.434 0.451 8.497 1020 2HD2 LEU 122 2HD2 LEU 122 8.576 0.724 10.015 1021 3HD2 LEU 122 3HD2 LEU 122 10.291 0.309 10.030 1022 H GLU 123 H GLU 123 13.387 4.749 6.972 1023 HA GLU 123 HA GLU 123 15.831 3.835 8.226 1024 1HB GLU 123 2HB GLU 123 15.337 5.495 5.742 1025 2HB GLU 123 1HB GLU 123 16.923 4.963 6.276 1026 1HG GLU 123 2HG GLU 123 16.194 2.628 6.032 1027 2HG GLU 123 1HG GLU 123 14.641 3.198 5.422 1028 H HIS 124 H HIS 124 14.199 5.734 9.672 1029 HA HIS 124 HA HIS 124 14.161 7.719 10.738 1030 1HB HIS 124 2HB HIS 124 16.516 6.882 11.323 1031 2HB HIS 124 1HB HIS 124 17.093 8.015 10.108 1032 HD1 HIS 124 1HD HIS 124 14.880 8.123 13.212 1033 HD2 HIS 124 2HD HIS 124 17.640 10.456 11.149 1034 HE1 HIS 124 1HE HIS 124 15.212 10.181 14.616 1035 HE2 HIS 124 2HE HIS 124 16.986 11.517 13.421 1036 H HIS 125 H HIS 125 12.841 8.731 9.322 1037 HA HIS 125 HA HIS 125 13.441 9.314 6.674 1038 1HB HIS 125 2HB HIS 125 11.184 9.089 7.867 1039 2HB HIS 125 1HB HIS 125 11.365 10.792 8.264 1040 HD1 HIS 125 1HD HIS 125 9.058 10.779 6.796 1041 HD2 HIS 125 2HD HIS 125 12.638 10.226 4.746 1042 HE1 HIS 125 1HE HIS 125 8.544 11.272 4.374 1043 HE2 HIS 125 2HE HIS 125 10.676 10.720 3.135 1044 H HIS 126 H HIS 126 13.277 11.568 9.427 1045 HA HIS 126 HA HIS 126 14.367 13.528 9.849 1046 1HB HIS 126 2HB HIS 126 16.271 12.265 8.571 1047 2HB HIS 126 1HB HIS 126 15.866 13.344 7.245 1048 HD1 HIS 126 1HD HIS 126 17.534 15.158 7.162 1049 HD2 HIS 126 2HD HIS 126 16.587 14.115 11.078 1050 HE1 HIS 126 1HE HIS 126 18.891 16.695 8.626 1051 HE2 HIS 126 2HE HIS 126 18.449 15.914 10.983 1052 H HIS 127 H HIS 127 14.601 15.802 8.850 1053 HA HIS 127 HA HIS 127 13.673 17.600 7.830 1054 1HB HIS 127 2HB HIS 127 12.783 15.523 5.844 1055 2HB HIS 127 1HB HIS 127 12.243 17.191 5.723 1056 HD1 HIS 127 1HD HIS 127 14.704 15.053 4.383 1057 HD2 HIS 127 2HD HIS 127 14.729 18.981 5.759 1058 HE1 HIS 127 1HE HIS 127 16.705 16.138 3.311 1059 HE2 HIS 127 2HE HIS 127 16.817 18.443 4.322 1060 H HIS 128 H HIS 128 12.431 18.092 9.576 1061 HA HIS 128 HA HIS 128 9.814 16.862 9.897 1062 1HB HIS 128 2HB HIS 128 11.165 17.265 11.895 1063 2HB HIS 128 1HB HIS 128 11.241 18.984 11.522 1064 HD1 HIS 128 1HD HIS 128 9.266 20.431 12.208 1065 HD2 HIS 128 2HD HIS 128 8.639 16.367 12.859 1066 HE1 HIS 128 1HE HIS 128 7.162 20.278 13.577 1067 HE2 HIS 128 2HE HIS 128 6.896 17.825 14.100 1068 H HIS 129 H HIS 129 7.984 17.692 9.165 1069 HA HIS 129 HA HIS 129 7.974 20.430 8.150 1070 1HB HIS 129 2HB HIS 129 5.677 19.753 7.239 1071 2HB HIS 129 1HB HIS 129 7.087 19.012 6.500 1072 HD1 HIS 129 1HD HIS 129 4.212 18.201 8.818 1073 HD2 HIS 129 2HD HIS 129 7.206 16.265 6.677 1074 HE1 HIS 129 1HE HIS 129 3.636 15.756 8.905 1075 HE2 HIS 129 2HE HIS 129 5.350 14.636 7.435 Start of MODEL 11 1 1H MET 1 1HT MET 1 14.658 -6.510 17.536 2 2H MET 1 2HT MET 1 15.788 -5.550 18.351 3 3H MET 1 3HT MET 1 16.316 -6.760 17.286 4 HA MET 1 HA MET 1 14.864 -4.275 16.605 5 1HB MET 1 2HB MET 1 16.927 -3.873 15.191 6 2HB MET 1 1HB MET 1 17.158 -3.763 16.928 7 1HG MET 1 2HG MET 1 17.813 -6.231 15.341 8 2HG MET 1 1HG MET 1 18.969 -4.931 15.635 9 1HE MET 1 1HE MET 1 19.571 -7.937 16.417 10 2HE MET 1 2HE MET 1 20.248 -7.751 18.034 11 3HE MET 1 3HE MET 1 20.692 -6.618 16.755 12 H SER 2 H SER 2 13.325 -4.729 15.216 13 HA SER 2 HA SER 2 13.560 -7.062 13.495 14 1HB SER 2 2HB SER 2 11.223 -5.166 13.805 15 2HB SER 2 1HB SER 2 11.196 -6.786 13.112 16 HG SER 2 HG SER 2 10.589 -6.288 15.503 17 H ILE 3 H ILE 3 14.654 -6.724 11.645 18 HA ILE 3 HA ILE 3 14.108 -4.274 10.119 19 HB ILE 3 HB ILE 3 15.988 -4.886 8.690 20 1HG1 ILE 3 2HG1 ILE 3 16.240 -7.299 10.489 21 2HG1 ILE 3 1HG1 ILE 3 15.801 -7.314 8.785 22 1HG2 ILE 3 1HG2 ILE 3 17.796 -4.613 10.323 23 2HG2 ILE 3 2HG2 ILE 3 16.673 -5.012 11.623 24 3HG2 ILE 3 3HG2 ILE 3 16.433 -3.548 10.669 25 1HD1 ILE 3 1HD1 ILE 3 18.457 -6.475 9.934 26 2HD1 ILE 3 2HD1 ILE 3 18.020 -6.442 8.225 27 3HD1 ILE 3 3HD1 ILE 3 18.108 -7.981 9.082 28 H SER 4 H SER 4 14.002 -4.684 7.682 29 HA SER 4 HA SER 4 12.580 -5.251 6.017 30 1HB SER 4 2HB SER 4 12.927 -8.003 7.223 31 2HB SER 4 1HB SER 4 12.111 -7.692 5.690 32 HG SER 4 HG SER 4 14.046 -6.838 4.878 33 H THR 5 H THR 5 10.792 -4.144 6.431 34 HA THR 5 HA THR 5 9.060 -4.812 8.642 35 HB THR 5 HB THR 5 8.345 -2.765 6.578 36 HG1 THR 5 1HG THR 5 10.550 -2.372 6.846 37 1HG2 THR 5 1HG2 THR 5 8.283 -2.778 9.601 38 2HG2 THR 5 2HG2 THR 5 6.909 -3.098 8.544 39 3HG2 THR 5 3HG2 THR 5 7.654 -1.500 8.560 40 H SER 6 H SER 6 6.642 -4.838 8.254 41 HA SER 6 HA SER 6 5.839 -7.071 6.895 42 1HB SER 6 2HB SER 6 4.075 -4.671 7.392 43 2HB SER 6 1HB SER 6 3.595 -6.368 7.332 44 HG SER 6 HG SER 6 3.826 -6.140 9.439 45 H ALA 7 H ALA 7 5.672 -3.707 5.746 46 HA ALA 7 HA ALA 7 4.331 -4.151 3.349 47 1HB ALA 7 1HB ALA 7 4.762 -1.928 4.299 48 2HB ALA 7 2HB ALA 7 5.244 -2.031 2.606 49 3HB ALA 7 3HB ALA 7 6.467 -2.090 3.877 50 H GLU 8 H GLU 8 7.817 -4.210 4.017 51 HA GLU 8 HA GLU 8 8.678 -4.762 1.403 52 1HB GLU 8 2HB GLU 8 9.942 -5.537 4.038 53 2HB GLU 8 1HB GLU 8 10.754 -5.540 2.479 54 1HG GLU 8 2HG GLU 8 10.620 -3.176 2.309 55 2HG GLU 8 1HG GLU 8 9.538 -3.078 3.698 56 H VAL 9 H VAL 9 7.614 -6.846 4.029 57 HA VAL 9 HA VAL 9 8.371 -9.311 2.867 58 HB VAL 9 HB VAL 9 6.174 -8.759 4.875 59 1HG1 VAL 9 1HG1 VAL 9 5.876 -10.926 3.799 60 2HG1 VAL 9 2HG1 VAL 9 6.389 -11.125 5.475 61 3HG1 VAL 9 3HG1 VAL 9 7.547 -11.351 4.164 62 1HG2 VAL 9 1HG2 VAL 9 8.348 -8.016 5.666 63 2HG2 VAL 9 2HG2 VAL 9 9.047 -9.587 5.273 64 3HG2 VAL 9 3HG2 VAL 9 7.832 -9.455 6.545 65 H TYR 10 H TYR 10 5.223 -7.627 2.951 66 HA TYR 10 HA TYR 10 3.820 -9.532 1.451 67 1HB TYR 10 2HB TYR 10 3.363 -6.581 1.839 68 2HB TYR 10 1HB TYR 10 2.273 -7.587 0.894 69 HD1 TYR 10 2HD TYR 10 1.689 -9.908 2.266 70 HD2 TYR 10 1HD TYR 10 2.641 -6.130 3.975 71 HE1 TYR 10 2HE TYR 10 0.474 -10.533 4.311 72 HE2 TYR 10 1HE TYR 10 1.434 -6.748 6.025 73 HH TYR 10 HH TYR 10 0.585 -9.841 6.798 74 H TYR 11 H TYR 11 5.663 -6.691 0.408 75 HA TYR 11 HA TYR 11 4.904 -6.871 -2.319 76 1HB TYR 11 2HB TYR 11 5.853 -4.822 -1.229 77 2HB TYR 11 1HB TYR 11 7.425 -5.621 -1.215 78 HD1 TYR 11 2HD TYR 11 4.696 -4.582 -3.524 79 HD2 TYR 11 1HD TYR 11 8.842 -5.406 -3.066 80 HE1 TYR 11 2HE TYR 11 5.095 -3.792 -5.816 81 HE2 TYR 11 1HE TYR 11 9.254 -4.616 -5.361 82 HH TYR 11 HH TYR 11 6.807 -3.003 -7.227 83 H GLU 12 H GLU 12 7.499 -8.259 -0.424 84 HA GLU 12 HA GLU 12 9.055 -9.268 -2.561 85 1HB GLU 12 2HB GLU 12 9.809 -9.027 -0.185 86 2HB GLU 12 1HB GLU 12 8.761 -10.366 0.252 87 1HG GLU 12 2HG GLU 12 10.064 -11.893 -1.041 88 2HG GLU 12 1HG GLU 12 11.021 -10.575 -1.723 89 H GLU 13 H GLU 13 6.524 -10.790 -0.542 90 HA GLU 13 HA GLU 13 6.440 -13.233 -1.949 91 1HB GLU 13 2HB GLU 13 4.227 -11.789 -0.475 92 2HB GLU 13 1HB GLU 13 4.114 -13.440 -1.063 93 1HG GLU 13 2HG GLU 13 6.066 -14.004 0.389 94 2HG GLU 13 1HG GLU 13 5.949 -12.381 1.069 95 H ALA 14 H ALA 14 4.790 -10.158 -2.473 96 HA ALA 14 HA ALA 14 3.102 -10.909 -4.570 97 1HB ALA 14 1HB ALA 14 2.989 -8.744 -3.423 98 2HB ALA 14 2HB ALA 14 3.084 -8.554 -5.175 99 3HB ALA 14 3HB ALA 14 4.511 -8.271 -4.178 100 H GLU 15 H GLU 15 6.415 -9.641 -4.667 101 HA GLU 15 HA GLU 15 6.839 -9.851 -7.426 102 1HB GLU 15 2HB GLU 15 8.682 -9.951 -5.048 103 2HB GLU 15 1HB GLU 15 9.306 -10.097 -6.678 104 1HG GLU 15 2HG GLU 15 8.156 -7.892 -7.173 105 2HG GLU 15 1HG GLU 15 7.895 -7.757 -5.436 106 H GLU 16 H GLU 16 7.243 -12.199 -4.825 107 HA GLU 16 HA GLU 16 8.436 -14.236 -6.298 108 1HB GLU 16 2HB GLU 16 6.799 -14.201 -3.801 109 2HB GLU 16 1HB GLU 16 7.501 -15.670 -4.428 110 1HG GLU 16 2HG GLU 16 9.001 -13.201 -3.616 111 2HG GLU 16 1HG GLU 16 8.895 -14.697 -2.690 112 H PHE 17 H PHE 17 5.023 -13.790 -5.432 113 HA PHE 17 HA PHE 17 4.103 -16.075 -6.815 114 1HB PHE 17 2HB PHE 17 2.674 -13.596 -5.863 115 2HB PHE 17 1HB PHE 17 1.839 -14.926 -6.657 116 HD1 PHE 17 1HD PHE 17 2.666 -17.321 -5.586 117 HD2 PHE 17 2HD PHE 17 2.443 -13.571 -3.590 118 HE1 PHE 17 1HE PHE 17 2.445 -18.486 -3.431 119 HE2 PHE 17 2HE PHE 17 2.221 -14.728 -1.431 120 HZ PHE 17 HZ PHE 17 2.222 -17.191 -1.351 121 H LEU 18 H LEU 18 4.478 -12.705 -7.804 122 HA LEU 18 HA LEU 18 3.105 -12.942 -10.264 123 1HB LEU 18 2HB LEU 18 3.716 -10.785 -9.178 124 2HB LEU 18 1HB LEU 18 5.393 -11.083 -9.595 125 HG LEU 18 HG LEU 18 4.711 -11.096 -12.012 126 1HD1 LEU 18 1HD1 LEU 18 2.108 -10.085 -10.881 127 2HD1 LEU 18 2HD1 LEU 18 2.357 -11.612 -11.726 128 3HD1 LEU 18 3HD1 LEU 18 2.553 -10.084 -12.585 129 1HD2 LEU 18 1HD2 LEU 18 5.727 -9.135 -10.987 130 2HD2 LEU 18 2HD2 LEU 18 4.140 -8.579 -10.457 131 3HD2 LEU 18 3HD2 LEU 18 4.515 -8.666 -12.178 132 H SER 19 H SER 19 6.329 -13.782 -9.257 133 HA SER 19 HA SER 19 7.286 -14.231 -11.944 134 1HB SER 19 2HB SER 19 8.492 -15.101 -9.307 135 2HB SER 19 1HB SER 19 9.309 -15.050 -10.872 136 HG SER 19 HG SER 19 8.334 -12.856 -9.343 137 H LYS 20 H LYS 20 5.464 -15.925 -9.629 138 HA LYS 20 HA LYS 20 6.182 -18.577 -10.476 139 1HB LYS 20 2HB LYS 20 5.352 -17.967 -8.169 140 2HB LYS 20 1HB LYS 20 3.762 -17.725 -8.880 141 1HG LYS 20 2HG LYS 20 3.853 -19.901 -7.878 142 2HG LYS 20 1HG LYS 20 3.783 -20.078 -9.633 143 1HD LYS 20 2HD LYS 20 6.236 -20.371 -9.665 144 2HD LYS 20 1HD LYS 20 6.244 -20.285 -7.902 145 1HE LYS 20 2HE LYS 20 4.803 -22.258 -7.802 146 2HE LYS 20 1HE LYS 20 4.789 -22.340 -9.562 147 1HZ LYS 20 1HZ LYS 20 6.389 -23.882 -8.775 148 2HZ LYS 20 2HZ LYS 20 7.116 -22.731 -7.764 149 3HZ LYS 20 3HZ LYS 20 7.248 -22.582 -9.448 150 H GLY 21 H GLY 21 3.505 -16.310 -11.028 151 1HA GLY 21 2HA GLY 21 2.835 -16.320 -13.453 152 2HA GLY 21 1HA GLY 21 2.657 -18.054 -13.261 153 H ASP 22 H ASP 22 1.625 -16.965 -10.406 154 HA ASP 22 HA ASP 22 -1.147 -16.941 -11.320 155 1HB ASP 22 2HB ASP 22 -1.464 -17.197 -8.704 156 2HB ASP 22 1HB ASP 22 -1.129 -18.579 -9.733 157 H LEU 23 H LEU 23 -2.106 -15.087 -11.523 158 HA LEU 23 HA LEU 23 -0.918 -12.682 -10.535 159 1HB LEU 23 2HB LEU 23 -3.559 -13.120 -11.920 160 2HB LEU 23 1HB LEU 23 -2.808 -11.562 -11.641 161 HG LEU 23 HG LEU 23 -1.701 -13.760 -13.390 162 1HD1 LEU 23 1HD1 LEU 23 -2.952 -11.108 -14.081 163 2HD1 LEU 23 2HD1 LEU 23 -3.654 -12.701 -14.363 164 3HD1 LEU 23 3HD1 LEU 23 -2.193 -12.213 -15.224 165 1HD2 LEU 23 1HD2 LEU 23 -0.688 -10.964 -12.892 166 2HD2 LEU 23 2HD2 LEU 23 -0.034 -12.107 -14.064 167 3HD2 LEU 23 3HD2 LEU 23 0.072 -12.455 -12.339 168 H VAL 24 H VAL 24 -3.530 -14.734 -9.482 169 HA VAL 24 HA VAL 24 -5.011 -12.808 -8.052 170 HB VAL 24 HB VAL 24 -4.855 -15.774 -7.495 171 1HG1 VAL 24 1HG1 VAL 24 -7.097 -15.493 -6.550 172 2HG1 VAL 24 2HG1 VAL 24 -7.000 -13.755 -6.840 173 3HG1 VAL 24 3HG1 VAL 24 -5.904 -14.521 -5.690 174 1HG2 VAL 24 1HG2 VAL 24 -5.407 -15.366 -9.828 175 2HG2 VAL 24 2HG2 VAL 24 -6.692 -14.258 -9.345 176 3HG2 VAL 24 3HG2 VAL 24 -6.813 -15.973 -8.953 177 H GLN 25 H GLN 25 -2.829 -15.345 -6.762 178 HA GLN 25 HA GLN 25 -2.743 -14.379 -4.160 179 1HB GLN 25 2HB GLN 25 -0.720 -15.995 -5.693 180 2HB GLN 25 1HB GLN 25 -0.690 -15.747 -3.951 181 1HG GLN 25 2HG GLN 25 -1.721 -17.762 -4.126 182 2HG GLN 25 1HG GLN 25 -3.095 -16.691 -4.028 183 1HE2 GLN 25 1HE2 GLN 25 -1.258 -18.832 -6.018 184 2HE2 GLN 25 2HE2 GLN 25 -2.399 -18.947 -7.309 185 H ALA 26 H ALA 26 -0.930 -13.436 -6.992 186 HA ALA 26 HA ALA 26 1.110 -12.004 -5.615 187 1HB ALA 26 1HB ALA 26 1.660 -11.082 -7.804 188 2HB ALA 26 2HB ALA 26 0.156 -11.723 -8.462 189 3HB ALA 26 3HB ALA 26 1.411 -12.826 -7.897 190 H CYS 27 H CYS 27 -1.838 -10.980 -7.324 191 HA CYS 27 HA CYS 27 -1.534 -8.228 -6.938 192 1HB CYS 27 2HB CYS 27 -3.134 -9.297 -8.529 193 2HB CYS 27 1HB CYS 27 -4.136 -9.757 -7.160 194 HG CYS 27 HG CYS 27 -4.965 -7.410 -8.775 195 H GLU 28 H GLU 28 -3.088 -10.687 -4.932 196 HA GLU 28 HA GLU 28 -4.251 -9.047 -3.006 197 1HB GLU 28 2HB GLU 28 -4.636 -11.462 -3.103 198 2HB GLU 28 1HB GLU 28 -2.965 -11.760 -2.642 199 1HG GLU 28 2HG GLU 28 -3.492 -10.447 -0.525 200 2HG GLU 28 1HG GLU 28 -5.185 -10.625 -0.983 201 H LYS 29 H LYS 29 -0.941 -10.261 -3.265 202 HA LYS 29 HA LYS 29 -0.125 -9.271 -0.723 203 1HB LYS 29 2HB LYS 29 1.539 -10.097 -3.105 204 2HB LYS 29 1HB LYS 29 2.160 -9.801 -1.487 205 1HG LYS 29 2HG LYS 29 0.209 -11.955 -2.272 206 2HG LYS 29 1HG LYS 29 1.918 -12.176 -1.897 207 1HD LYS 29 2HD LYS 29 1.524 -11.396 0.386 208 2HD LYS 29 1HD LYS 29 -0.183 -11.149 0.013 209 1HE LYS 29 2HE LYS 29 1.283 -13.783 -0.070 210 2HE LYS 29 1HE LYS 29 0.176 -13.255 1.199 211 1HZ LYS 29 1HZ LYS 29 -0.873 -14.750 -0.426 212 2HZ LYS 29 2HZ LYS 29 -0.580 -13.617 -1.651 213 3HZ LYS 29 3HZ LYS 29 -1.627 -13.231 -0.375 214 H TYR 30 H TYR 30 -0.012 -8.019 -4.020 215 HA TYR 30 HA TYR 30 1.544 -5.730 -3.474 216 1HB TYR 30 2HB TYR 30 -0.524 -6.310 -5.591 217 2HB TYR 30 1HB TYR 30 0.303 -4.760 -5.499 218 HD1 TYR 30 1HD TYR 30 2.950 -4.975 -5.336 219 HD2 TYR 30 2HD TYR 30 0.365 -7.914 -6.999 220 HE1 TYR 30 1HE TYR 30 4.828 -5.881 -6.634 221 HE2 TYR 30 2HE TYR 30 2.241 -8.836 -8.298 222 HH TYR 30 HH TYR 30 5.466 -8.031 -7.686 223 H TYR 31 H TYR 31 -1.936 -6.316 -3.357 224 HA TYR 31 HA TYR 31 -2.734 -3.708 -2.693 225 1HB TYR 31 2HB TYR 31 -4.364 -5.311 -3.441 226 2HB TYR 31 1HB TYR 31 -3.998 -6.392 -2.102 227 HD1 TYR 31 2HD TYR 31 -5.357 -3.008 -2.856 228 HD2 TYR 31 1HD TYR 31 -5.249 -6.278 -0.136 229 HE1 TYR 31 2HE TYR 31 -7.147 -1.959 -1.533 230 HE2 TYR 31 1HE TYR 31 -7.040 -5.244 1.190 231 HH TYR 31 HH TYR 31 -7.973 -3.017 1.594 232 H LYS 32 H LYS 32 -1.958 -6.484 -0.603 233 HA LYS 32 HA LYS 32 -2.470 -5.026 1.788 234 1HB LYS 32 2HB LYS 32 -0.976 -7.619 1.410 235 2HB LYS 32 1HB LYS 32 -1.494 -6.958 2.958 236 1HG LYS 32 2HG LYS 32 -3.850 -6.937 1.793 237 2HG LYS 32 1HG LYS 32 -3.111 -8.173 0.773 238 1HD LYS 32 2HD LYS 32 -4.247 -9.261 2.580 239 2HD LYS 32 1HD LYS 32 -2.510 -9.420 2.851 240 1HE LYS 32 2HE LYS 32 -3.630 -8.857 4.927 241 2HE LYS 32 1HE LYS 32 -2.600 -7.522 4.412 242 1HZ LYS 32 1HZ LYS 32 -4.603 -6.437 3.489 243 2HZ LYS 32 2HZ LYS 32 -4.687 -6.662 5.160 244 3HZ LYS 32 3HZ LYS 32 -5.560 -7.687 4.132 245 H ALA 33 H ALA 33 0.388 -5.519 -0.165 246 HA ALA 33 HA ALA 33 2.262 -4.489 1.687 247 1HB ALA 33 1HB ALA 33 3.678 -4.047 -0.273 248 2HB ALA 33 2HB ALA 33 2.305 -4.371 -1.332 249 3HB ALA 33 3HB ALA 33 2.972 -5.662 -0.335 250 H ALA 34 H ALA 34 0.014 -3.044 -0.558 251 HA ALA 34 HA ALA 34 0.990 -0.383 -0.375 252 1HB ALA 34 1HB ALA 34 -1.724 -1.395 -1.206 253 2HB ALA 34 2HB ALA 34 -0.337 -1.149 -2.268 254 3HB ALA 34 3HB ALA 34 -1.101 0.231 -1.480 255 H GLU 35 H GLU 35 -1.631 -2.149 1.260 256 HA GLU 35 HA GLU 35 -2.623 0.091 2.671 257 1HB GLU 35 2HB GLU 35 -3.855 -1.496 4.055 258 2HB GLU 35 1HB GLU 35 -3.957 -1.954 2.363 259 1HG GLU 35 2HG GLU 35 -2.253 -3.665 2.731 260 2HG GLU 35 1HG GLU 35 -2.163 -3.202 4.429 261 H GLU 36 H GLU 36 -0.203 -2.355 3.491 262 HA GLU 36 HA GLU 36 0.299 -1.520 6.125 263 1HB GLU 36 2HB GLU 36 1.914 -2.983 4.070 264 2HB GLU 36 1HB GLU 36 2.676 -2.468 5.567 265 1HG GLU 36 2HG GLU 36 0.245 -4.230 5.368 266 2HG GLU 36 1HG GLU 36 1.896 -4.785 5.645 267 H ALA 37 H ALA 37 1.644 -0.434 3.040 268 HA ALA 37 HA ALA 37 3.645 1.241 4.043 269 1HB ALA 37 1HB ALA 37 3.495 0.650 1.683 270 2HB ALA 37 2HB ALA 37 3.524 2.402 1.885 271 3HB ALA 37 3HB ALA 37 2.004 1.579 1.530 272 H ILE 38 H ILE 38 0.250 2.003 3.242 273 HA ILE 38 HA ILE 38 0.338 4.706 4.027 274 HB ILE 38 HB ILE 38 -2.044 2.842 4.160 275 1HG1 ILE 38 2HG1 ILE 38 -1.040 2.860 1.925 276 2HG1 ILE 38 1HG1 ILE 38 -2.592 3.688 1.918 277 1HG2 ILE 38 1HG2 ILE 38 -3.382 4.887 3.944 278 2HG2 ILE 38 2HG2 ILE 38 -1.907 5.853 4.001 279 3HG2 ILE 38 3HG2 ILE 38 -2.396 4.905 5.407 280 1HD1 ILE 38 1HD1 ILE 38 -1.453 5.840 1.944 281 2HD1 ILE 38 2HD1 ILE 38 -0.948 4.858 0.567 282 3HD1 ILE 38 3HD1 ILE 38 0.106 5.016 1.972 283 H LYS 39 H LYS 39 -0.466 1.765 5.797 284 HA LYS 39 HA LYS 39 -1.121 2.825 8.284 285 1HB LYS 39 2HB LYS 39 -1.565 0.558 7.918 286 2HB LYS 39 1HB LYS 39 0.057 0.233 7.340 287 1HG LYS 39 2HG LYS 39 0.938 0.265 9.545 288 2HG LYS 39 1HG LYS 39 -0.583 0.879 10.206 289 1HD LYS 39 2HD LYS 39 -1.692 -1.144 9.854 290 2HD LYS 39 1HD LYS 39 -0.490 -1.709 8.695 291 1HE LYS 39 2HE LYS 39 0.076 -1.291 11.620 292 2HE LYS 39 1HE LYS 39 -0.430 -2.834 10.938 293 1HZ LYS 39 1HZ LYS 39 1.893 -2.921 11.033 294 2HZ LYS 39 2HZ LYS 39 2.080 -1.353 10.433 295 3HZ LYS 39 3HZ LYS 39 1.556 -2.596 9.400 296 H LEU 40 H LEU 40 2.083 1.737 7.125 297 HA LEU 40 HA LEU 40 3.593 2.573 9.301 298 1HB LEU 40 2HB LEU 40 4.092 1.976 6.453 299 2HB LEU 40 1HB LEU 40 5.331 2.898 7.271 300 HG LEU 40 HG LEU 40 5.384 1.078 8.995 301 1HD1 LEU 40 1HD1 LEU 40 3.215 0.087 8.571 302 2HD1 LEU 40 2HD1 LEU 40 4.503 -1.107 8.405 303 3HD1 LEU 40 3HD1 LEU 40 3.752 -0.410 6.968 304 1HD2 LEU 40 1HD2 LEU 40 7.089 1.257 7.280 305 2HD2 LEU 40 2HD2 LEU 40 6.078 0.341 6.164 306 3HD2 LEU 40 3HD2 LEU 40 6.724 -0.437 7.608 307 H LEU 41 H LEU 41 2.683 4.356 6.369 308 HA LEU 41 HA LEU 41 4.181 6.663 6.821 309 1HB LEU 41 2HB LEU 41 1.894 5.911 5.155 310 2HB LEU 41 1HB LEU 41 1.940 7.615 5.564 311 HG LEU 41 HG LEU 41 4.196 7.790 4.602 312 1HD1 LEU 41 1HD1 LEU 41 4.968 5.524 5.024 313 2HD1 LEU 41 2HD1 LEU 41 5.143 5.953 3.322 314 3HD1 LEU 41 3HD1 LEU 41 3.821 4.905 3.836 315 1HD2 LEU 41 1HD2 LEU 41 2.177 6.537 2.749 316 2HD2 LEU 41 2HD2 LEU 41 3.558 7.518 2.263 317 3HD2 LEU 41 3HD2 LEU 41 2.253 8.238 3.206 318 H VAL 42 H VAL 42 0.886 5.887 7.892 319 HA VAL 42 HA VAL 42 0.213 8.375 8.959 320 HB VAL 42 HB VAL 42 -0.623 5.633 9.920 321 1HG1 VAL 42 1HG1 VAL 42 -1.020 7.374 11.618 322 2HG1 VAL 42 2HG1 VAL 42 -2.517 6.704 10.970 323 3HG1 VAL 42 3HG1 VAL 42 -1.956 8.287 10.436 324 1HG2 VAL 42 1HG2 VAL 42 -2.635 6.027 8.580 325 2HG2 VAL 42 2HG2 VAL 42 -1.178 6.038 7.587 326 3HG2 VAL 42 3HG2 VAL 42 -1.956 7.559 8.021 327 H ILE 43 H ILE 43 1.876 5.634 10.472 328 HA ILE 43 HA ILE 43 1.984 6.734 13.071 329 HB ILE 43 HB ILE 43 3.845 4.689 11.847 330 1HG1 ILE 43 2HG1 ILE 43 1.465 4.086 11.560 331 2HG1 ILE 43 1HG1 ILE 43 2.292 3.003 12.667 332 1HG2 ILE 43 1HG2 ILE 43 3.093 5.223 14.720 333 2HG2 ILE 43 2HG2 ILE 43 4.648 5.570 13.966 334 3HG2 ILE 43 3HG2 ILE 43 4.114 3.901 14.154 335 1HD1 ILE 43 1HD1 ILE 43 0.086 3.529 13.489 336 2HD1 ILE 43 2HD1 ILE 43 0.442 5.254 13.417 337 3HD1 ILE 43 3HD1 ILE 43 1.305 4.223 14.558 338 H GLU 44 H GLU 44 4.299 6.740 10.375 339 HA GLU 44 HA GLU 44 6.345 8.025 11.914 340 1HB GLU 44 2HB GLU 44 6.062 7.439 8.976 341 2HB GLU 44 1HB GLU 44 7.458 8.269 9.652 342 1HG GLU 44 2HG GLU 44 6.521 5.532 10.476 343 2HG GLU 44 1HG GLU 44 7.822 5.856 9.332 344 H ASN 45 H ASN 45 3.770 9.141 9.838 345 HA ASN 45 HA ASN 45 4.805 11.840 9.725 346 1HB ASN 45 2HB ASN 45 2.292 10.517 8.759 347 2HB ASN 45 1HB ASN 45 2.380 12.272 8.846 348 1HD2 ASN 45 1HD2 ASN 45 3.566 9.414 7.283 349 2HD2 ASN 45 2HD2 ASN 45 4.344 10.215 5.960 350 H ASN 46 H ASN 46 3.273 9.990 12.010 351 HA ASN 46 HA ASN 46 2.325 10.384 14.024 352 1HB ASN 46 2HB ASN 46 4.327 11.856 14.255 353 2HB ASN 46 1HB ASN 46 3.357 13.205 13.680 354 1HD2 ASN 46 1HD2 ASN 46 3.707 14.324 15.604 355 2HD2 ASN 46 2HD2 ASN 46 2.892 13.895 17.070 356 H LEU 47 H LEU 47 0.598 10.423 11.944 357 HA LEU 47 HA LEU 47 -1.128 12.718 12.089 358 1HB LEU 47 2HB LEU 47 -1.623 9.988 10.912 359 2HB LEU 47 1HB LEU 47 -2.634 11.395 10.680 360 HG LEU 47 HG LEU 47 0.216 11.143 9.722 361 1HD1 LEU 47 1HD1 LEU 47 -0.771 11.001 7.492 362 2HD1 LEU 47 2HD1 LEU 47 -2.385 11.003 8.205 363 3HD1 LEU 47 3HD1 LEU 47 -1.286 9.657 8.510 364 1HD2 LEU 47 1HD2 LEU 47 -0.427 13.445 10.236 365 2HD2 LEU 47 2HD2 LEU 47 -1.862 13.272 9.226 366 3HD2 LEU 47 3HD2 LEU 47 -0.257 13.203 8.499 367 H LYS 48 H LYS 48 -1.520 12.797 14.352 368 HA LYS 48 HA LYS 48 -2.624 10.611 15.776 369 1HB LYS 48 2HB LYS 48 -1.427 12.576 16.805 370 2HB LYS 48 1HB LYS 48 -2.877 13.528 16.510 371 1HG LYS 48 2HG LYS 48 -4.164 12.156 17.981 372 2HG LYS 48 1HG LYS 48 -2.839 11.004 18.145 373 1HD LYS 48 2HD LYS 48 -1.478 12.848 19.165 374 2HD LYS 48 1HD LYS 48 -2.939 13.842 19.163 375 1HE LYS 48 2HE LYS 48 -4.067 12.228 20.580 376 2HE LYS 48 1HE LYS 48 -2.660 11.167 20.532 377 1HZ LYS 48 1HZ LYS 48 -2.585 12.341 22.560 378 2HZ LYS 48 2HZ LYS 48 -2.871 13.834 21.812 379 3HZ LYS 48 3HZ LYS 48 -1.393 13.035 21.573 380 H GLU 49 H GLU 49 -4.022 13.204 13.902 381 HA GLU 49 HA GLU 49 -6.670 13.050 14.722 382 1HB GLU 49 2HB GLU 49 -5.668 13.515 11.918 383 2HB GLU 49 1HB GLU 49 -7.230 13.987 12.555 384 1HG GLU 49 2HG GLU 49 -4.544 15.085 13.319 385 2HG GLU 49 1HG GLU 49 -5.845 15.916 12.467 386 H ILE 50 H ILE 50 -4.889 11.129 12.371 387 HA ILE 50 HA ILE 50 -7.151 9.610 11.512 388 HB ILE 50 HB ILE 50 -4.199 9.056 11.184 389 1HG1 ILE 50 2HG1 ILE 50 -4.884 11.162 10.145 390 2HG1 ILE 50 1HG1 ILE 50 -4.497 9.959 8.921 391 1HG2 ILE 50 1HG2 ILE 50 -5.530 7.027 10.925 392 2HG2 ILE 50 2HG2 ILE 50 -4.851 7.549 9.381 393 3HG2 ILE 50 3HG2 ILE 50 -6.552 7.845 9.741 394 1HD1 ILE 50 1HD1 ILE 50 -6.458 11.223 8.291 395 2HD1 ILE 50 2HD1 ILE 50 -7.258 10.778 9.799 396 3HD1 ILE 50 3HD1 ILE 50 -6.889 9.540 8.596 397 H THR 51 H THR 51 -4.484 9.078 13.785 398 HA THR 51 HA THR 51 -5.195 6.382 14.342 399 HB THR 51 HB THR 51 -3.727 6.842 16.448 400 HG1 THR 51 1HG THR 51 -2.550 8.888 15.000 401 1HG2 THR 51 1HG2 THR 51 -2.560 7.058 13.667 402 2HG2 THR 51 2HG2 THR 51 -3.010 5.557 14.475 403 3HG2 THR 51 3HG2 THR 51 -1.699 6.546 15.119 404 H ASN 52 H ASN 52 -6.265 9.456 15.594 405 HA ASN 52 HA ASN 52 -7.568 8.441 17.910 406 1HB ASN 52 2HB ASN 52 -7.936 10.941 16.279 407 2HB ASN 52 1HB ASN 52 -9.036 10.546 17.594 408 1HD2 ASN 52 1HD2 ASN 52 -7.347 12.814 17.411 409 2HD2 ASN 52 2HD2 ASN 52 -6.241 12.747 18.747 410 H ASN 53 H ASN 53 -8.402 8.543 14.533 411 HA ASN 53 HA ASN 53 -11.171 7.947 14.912 412 1HB ASN 53 2HB ASN 53 -9.302 7.986 12.570 413 2HB ASN 53 1HB ASN 53 -10.879 7.237 12.412 414 1HD2 ASN 53 1HD2 ASN 53 -10.202 10.037 14.419 415 2HD2 ASN 53 2HD2 ASN 53 -11.119 11.167 13.480 416 H VAL 54 H VAL 54 -8.254 6.168 14.915 417 HA VAL 54 HA VAL 54 -9.636 3.604 14.597 418 HB VAL 54 HB VAL 54 -6.663 3.999 14.997 419 1HG1 VAL 54 1HG1 VAL 54 -6.493 1.850 13.833 420 2HG1 VAL 54 2HG1 VAL 54 -8.251 1.775 13.718 421 3HG1 VAL 54 3HG1 VAL 54 -7.468 1.723 15.297 422 1HG2 VAL 54 1HG2 VAL 54 -7.298 5.351 13.088 423 2HG2 VAL 54 2HG2 VAL 54 -8.187 4.000 12.392 424 3HG2 VAL 54 3HG2 VAL 54 -6.432 3.916 12.541 425 H LYS 55 H LYS 55 -9.310 5.693 16.973 426 HA LYS 55 HA LYS 55 -8.201 4.369 19.173 427 1HB LYS 55 2HB LYS 55 -9.590 6.747 18.736 428 2HB LYS 55 1HB LYS 55 -10.625 5.849 19.836 429 1HG LYS 55 2HG LYS 55 -9.279 7.118 21.235 430 2HG LYS 55 1HG LYS 55 -8.516 5.526 21.249 431 1HD LYS 55 2HD LYS 55 -6.861 6.258 19.658 432 2HD LYS 55 1HD LYS 55 -7.666 7.818 19.483 433 1HE LYS 55 2HE LYS 55 -7.252 8.216 21.913 434 2HE LYS 55 1HE LYS 55 -6.295 6.735 21.939 435 1HZ LYS 55 1HZ LYS 55 -5.740 9.196 20.378 436 2HZ LYS 55 2HZ LYS 55 -4.888 7.745 20.184 437 3HZ LYS 55 3HZ LYS 55 -4.827 8.569 21.666 438 H ASN 56 H ASN 56 -11.310 4.117 17.630 439 HA ASN 56 HA ASN 56 -12.461 2.491 19.751 440 1HB ASN 56 2HB ASN 56 -13.594 4.341 18.260 441 2HB ASN 56 1HB ASN 56 -13.770 3.025 17.106 442 1HD2 ASN 56 1HD2 ASN 56 -15.802 4.538 18.469 443 2HD2 ASN 56 2HD2 ASN 56 -16.745 3.400 19.372 444 H LYS 57 H LYS 57 -10.808 2.128 16.792 445 HA LYS 57 HA LYS 57 -11.952 -0.435 16.125 446 1HB LYS 57 2HB LYS 57 -9.980 1.414 14.807 447 2HB LYS 57 1HB LYS 57 -10.336 -0.181 14.189 448 1HG LYS 57 2HG LYS 57 -12.338 2.028 14.556 449 2HG LYS 57 1HG LYS 57 -11.603 1.545 13.025 450 1HD LYS 57 2HD LYS 57 -12.559 -0.731 13.368 451 2HD LYS 57 1HD LYS 57 -13.409 -0.109 14.782 452 1HE LYS 57 2HE LYS 57 -14.636 1.447 13.418 453 2HE LYS 57 1HE LYS 57 -13.700 0.992 11.993 454 1HZ LYS 57 1HZ LYS 57 -14.596 -1.305 12.322 455 2HZ LYS 57 2HZ LYS 57 -15.738 -0.144 11.856 456 3HZ LYS 57 3HZ LYS 57 -15.667 -0.661 13.472 457 H GLY 58 H GLY 58 -10.443 -2.170 15.446 458 1HA GLY 58 2HA GLY 58 -8.035 -2.262 17.161 459 2HA GLY 58 1HA GLY 58 -9.051 -3.668 16.859 460 H ARG 59 H ARG 59 -9.338 -2.456 14.033 461 HA ARG 59 HA ARG 59 -6.712 -3.203 12.963 462 1HB ARG 59 2HB ARG 59 -8.244 -5.134 12.727 463 2HB ARG 59 1HB ARG 59 -9.396 -4.108 11.883 464 1HG ARG 59 2HG ARG 59 -8.233 -5.400 10.260 465 2HG ARG 59 1HG ARG 59 -7.667 -3.734 10.123 466 1HD ARG 59 2HD ARG 59 -5.732 -4.373 11.579 467 2HD ARG 59 1HD ARG 59 -6.266 -6.046 11.451 468 HE ARG 59 HE ARG 59 -5.525 -4.454 9.069 469 1HH1 ARG 59 1HH1 ARG 59 -5.367 -7.413 10.952 470 2HH1 ARG 59 2HH1 ARG 59 -4.247 -8.193 9.871 471 1HH2 ARG 59 1HH2 ARG 59 -4.088 -5.473 7.646 472 2HH2 ARG 59 2HH2 ARG 59 -3.513 -7.083 7.984 473 H TRP 60 H TRP 60 -6.120 -2.092 11.128 474 HA TRP 60 HA TRP 60 -7.211 0.480 10.745 475 1HB TRP 60 2HB TRP 60 -5.258 -1.114 9.080 476 2HB TRP 60 1HB TRP 60 -5.643 0.579 8.794 477 HD1 TRP 60 HD TRP 60 -4.211 -1.593 11.689 478 HE1 TRP 60 1HE TRP 60 -2.478 -0.171 12.962 479 HE3 TRP 60 3HE TRP 60 -4.722 2.786 9.095 480 HZ2 TRP 60 2HZ TRP 60 -1.459 2.464 12.851 481 HZ3 TRP 60 3HZ TRP 60 -3.323 4.705 9.737 482 HH2 TRP 60 HH TRP 60 -1.727 4.545 11.574 483 H LYS 61 H LYS 61 -8.832 1.133 9.523 484 HA LYS 61 HA LYS 61 -10.249 -0.721 7.830 485 1HB LYS 61 2HB LYS 61 -10.702 2.233 8.313 486 2HB LYS 61 1HB LYS 61 -11.790 1.173 7.431 487 1HG LYS 61 2HG LYS 61 -12.197 -0.115 9.456 488 2HG LYS 61 1HG LYS 61 -11.073 0.917 10.346 489 1HD LYS 61 2HD LYS 61 -13.365 1.615 10.767 490 2HD LYS 61 1HD LYS 61 -12.508 2.863 9.860 491 1HE LYS 61 2HE LYS 61 -13.532 2.053 7.787 492 2HE LYS 61 1HE LYS 61 -14.391 0.810 8.695 493 1HZ LYS 61 1HZ LYS 61 -15.832 2.673 8.267 494 2HZ LYS 61 2HZ LYS 61 -14.736 3.747 8.981 495 3HZ LYS 61 3HZ LYS 61 -15.519 2.584 9.933 496 H SER 62 H SER 62 -10.161 -0.847 5.632 497 HA SER 62 HA SER 62 -8.125 0.339 4.138 498 1HB SER 62 2HB SER 62 -10.757 -0.566 2.995 499 2HB SER 62 1HB SER 62 -9.169 -0.628 2.238 500 HG SER 62 HG SER 62 -8.605 -2.320 3.508 501 H GLU 63 H GLU 63 -11.381 1.372 4.847 502 HA GLU 63 HA GLU 63 -11.511 3.561 3.057 503 1HB GLU 63 2HB GLU 63 -13.528 2.636 3.962 504 2HB GLU 63 1HB GLU 63 -12.976 2.882 5.608 505 1HG GLU 63 2HG GLU 63 -13.266 5.279 3.893 506 2HG GLU 63 1HG GLU 63 -14.736 4.471 4.435 507 H ASN 64 H ASN 64 -10.512 3.241 6.435 508 HA ASN 64 HA ASN 64 -9.971 5.969 6.912 509 1HB ASN 64 2HB ASN 64 -10.210 4.422 8.762 510 2HB ASN 64 1HB ASN 64 -8.850 3.464 8.190 511 1HD2 ASN 64 1HD2 ASN 64 -6.782 4.112 8.653 512 2HD2 ASN 64 2HD2 ASN 64 -6.419 5.438 9.696 513 H LEU 65 H LEU 65 -8.088 3.354 5.548 514 HA LEU 65 HA LEU 65 -5.578 4.598 5.476 515 1HB LEU 65 2HB LEU 65 -6.795 2.559 3.612 516 2HB LEU 65 1HB LEU 65 -5.100 3.006 3.612 517 HG LEU 65 HG LEU 65 -6.532 1.784 5.973 518 1HD1 LEU 65 1HD1 LEU 65 -4.693 0.496 3.961 519 2HD1 LEU 65 2HD1 LEU 65 -6.427 0.210 4.114 520 3HD1 LEU 65 3HD1 LEU 65 -5.336 -0.265 5.416 521 1HD2 LEU 65 1HD2 LEU 65 -3.605 2.254 5.430 522 2HD2 LEU 65 2HD2 LEU 65 -4.281 1.450 6.846 523 3HD2 LEU 65 3HD2 LEU 65 -4.603 3.161 6.565 524 H PHE 66 H PHE 66 -8.331 4.762 3.283 525 HA PHE 66 HA PHE 66 -7.007 6.299 1.281 526 1HB PHE 66 2HB PHE 66 -9.051 4.984 0.821 527 2HB PHE 66 1HB PHE 66 -9.970 6.062 1.865 528 HD1 PHE 66 2HD PHE 66 -7.937 5.970 -1.237 529 HD2 PHE 66 1HD PHE 66 -10.913 8.020 1.014 530 HE1 PHE 66 2HE PHE 66 -8.364 7.446 -3.160 531 HE2 PHE 66 1HE PHE 66 -11.349 9.500 -0.904 532 HZ PHE 66 HZ PHE 66 -10.072 9.215 -2.992 533 H LYS 67 H LYS 67 -8.902 7.036 4.125 534 HA LYS 67 HA LYS 67 -9.245 9.798 3.798 535 1HB LYS 67 2HB LYS 67 -10.236 8.194 5.545 536 2HB LYS 67 1HB LYS 67 -8.752 8.431 6.437 537 1HG LYS 67 2HG LYS 67 -9.191 10.730 6.759 538 2HG LYS 67 1HG LYS 67 -10.525 10.706 5.601 539 1HD LYS 67 2HD LYS 67 -10.448 9.231 8.236 540 2HD LYS 67 1HD LYS 67 -11.344 10.719 7.915 541 1HE LYS 67 2HE LYS 67 -12.632 9.528 6.176 542 2HE LYS 67 1HE LYS 67 -11.767 8.046 6.575 543 1HZ LYS 67 1HZ LYS 67 -13.924 8.119 7.643 544 2HZ LYS 67 2HZ LYS 67 -13.532 9.571 8.421 545 3HZ LYS 67 3HZ LYS 67 -12.698 8.146 8.810 546 H ALA 68 H ALA 68 -6.783 7.961 5.497 547 HA ALA 68 HA ALA 68 -5.167 10.100 6.334 548 1HB ALA 68 1HB ALA 68 -3.444 8.414 6.739 549 2HB ALA 68 2HB ALA 68 -4.352 7.248 5.775 550 3HB ALA 68 3HB ALA 68 -5.026 7.856 7.286 551 H SER 69 H SER 69 -4.825 7.978 3.479 552 HA SER 69 HA SER 69 -2.433 9.167 2.570 553 1HB SER 69 2HB SER 69 -3.060 8.055 0.368 554 2HB SER 69 1HB SER 69 -2.930 6.989 1.767 555 HG SER 69 HG SER 69 -5.039 6.663 1.746 556 H LYS 70 H LYS 70 -5.801 9.923 2.033 557 HA LYS 70 HA LYS 70 -5.595 11.703 -0.111 558 1HB LYS 70 2HB LYS 70 -7.665 10.775 1.118 559 2HB LYS 70 1HB LYS 70 -7.446 12.116 2.221 560 1HG LYS 70 2HG LYS 70 -7.658 13.688 0.355 561 2HG LYS 70 1HG LYS 70 -7.921 12.330 -0.742 562 1HD LYS 70 2HD LYS 70 -9.929 11.710 0.488 563 2HD LYS 70 1HD LYS 70 -9.653 13.026 1.629 564 1HE LYS 70 2HE LYS 70 -10.217 13.298 -1.320 565 2HE LYS 70 1HE LYS 70 -11.334 13.661 -0.007 566 1HZ LYS 70 1HZ LYS 70 -10.436 15.702 -0.692 567 2HZ LYS 70 2HZ LYS 70 -8.855 15.102 -0.740 568 3HZ LYS 70 3HZ LYS 70 -9.623 15.329 0.751 569 H LEU 71 H LEU 71 -5.399 12.247 3.363 570 HA LEU 71 HA LEU 71 -4.875 15.027 3.240 571 1HB LEU 71 2HB LEU 71 -4.283 12.995 5.388 572 2HB LEU 71 1HB LEU 71 -4.052 14.721 5.590 573 HG LEU 71 HG LEU 71 -6.698 13.381 5.023 574 1HD1 LEU 71 1HD1 LEU 71 -5.846 12.865 7.257 575 2HD1 LEU 71 2HD1 LEU 71 -7.243 13.938 7.329 576 3HD1 LEU 71 3HD1 LEU 71 -5.621 14.587 7.568 577 1HD2 LEU 71 1HD2 LEU 71 -6.020 16.244 5.692 578 2HD2 LEU 71 2HD2 LEU 71 -7.644 15.580 5.520 579 3HD2 LEU 71 3HD2 LEU 71 -6.570 15.646 4.124 580 H LEU 72 H LEU 72 -2.823 12.199 3.128 581 HA LEU 72 HA LEU 72 -0.371 13.536 3.648 582 1HB LEU 72 2HB LEU 72 -0.986 10.861 2.413 583 2HB LEU 72 1HB LEU 72 0.648 11.428 2.703 584 HG LEU 72 HG LEU 72 -1.448 11.017 4.838 585 1HD1 LEU 72 1HD1 LEU 72 0.982 9.381 4.130 586 2HD1 LEU 72 2HD1 LEU 72 -0.699 8.907 3.883 587 3HD1 LEU 72 3HD1 LEU 72 -0.073 9.118 5.519 588 1HD2 LEU 72 1HD2 LEU 72 1.478 11.718 5.026 589 2HD2 LEU 72 2HD2 LEU 72 0.419 11.348 6.386 590 3HD2 LEU 72 3HD2 LEU 72 0.122 12.783 5.406 591 H ARG 73 H ARG 73 -2.327 13.929 1.085 592 HA ARG 73 HA ARG 73 -0.605 13.948 -1.128 593 1HB ARG 73 2HB ARG 73 -2.970 14.135 -1.446 594 2HB ARG 73 1HB ARG 73 -3.055 15.586 -0.463 595 1HG ARG 73 2HG ARG 73 -1.345 15.723 -2.867 596 2HG ARG 73 1HG ARG 73 -3.086 15.604 -3.134 597 1HD ARG 73 2HD ARG 73 -3.351 17.514 -1.511 598 2HD ARG 73 1HD ARG 73 -1.599 17.699 -1.557 599 HE ARG 73 HE ARG 73 -2.252 17.802 -4.167 600 1HH1 ARG 73 1HH1 ARG 73 -3.537 19.442 -1.356 601 2HH1 ARG 73 2HH1 ARG 73 -4.008 20.864 -2.229 602 1HH2 ARG 73 1HH2 ARG 73 -2.853 19.659 -5.327 603 2HH2 ARG 73 2HH2 ARG 73 -3.608 20.988 -4.504 604 H SER 74 H SER 74 -0.917 16.112 1.567 605 HA SER 74 HA SER 74 0.481 18.322 0.458 606 1HB SER 74 2HB SER 74 -0.934 18.554 2.452 607 2HB SER 74 1HB SER 74 0.146 17.489 3.354 608 HG SER 74 HG SER 74 1.655 19.380 2.323 609 H ASN 75 H ASN 75 1.455 15.302 1.858 610 HA ASN 75 HA ASN 75 4.209 16.096 2.251 611 1HB ASN 75 2HB ASN 75 3.089 14.381 3.697 612 2HB ASN 75 1HB ASN 75 2.994 13.316 2.301 613 1HD2 ASN 75 1HD2 ASN 75 4.366 13.023 4.897 614 2HD2 ASN 75 2HD2 ASN 75 6.018 12.697 4.505 615 H ASN 76 H ASN 76 2.469 13.820 0.128 616 HA ASN 76 HA ASN 76 4.237 14.545 -2.055 617 1HB ASN 76 2HB ASN 76 5.376 12.648 -0.873 618 2HB ASN 76 1HB ASN 76 3.972 11.647 -1.219 619 1HD2 ASN 76 1HD2 ASN 76 3.787 10.714 -3.180 620 2HD2 ASN 76 2HD2 ASN 76 4.930 10.904 -4.462 621 H THR 77 H THR 77 3.108 14.659 -3.899 622 HA THR 77 HA THR 77 0.305 14.531 -3.708 623 HB THR 77 HB THR 77 0.506 14.982 -6.263 624 HG1 THR 77 1HG THR 77 2.864 16.052 -6.258 625 1HG2 THR 77 1HG2 THR 77 1.052 17.336 -5.810 626 2HG2 THR 77 2HG2 THR 77 1.668 16.882 -4.221 627 3HG2 THR 77 3HG2 THR 77 -0.046 16.685 -4.591 628 H GLU 78 H GLU 78 2.623 12.207 -4.930 629 HA GLU 78 HA GLU 78 0.899 10.705 -6.548 630 1HB GLU 78 2HB GLU 78 3.375 9.988 -5.013 631 2HB GLU 78 1HB GLU 78 2.486 8.793 -5.931 632 1HG GLU 78 2HG GLU 78 2.796 10.227 -7.947 633 2HG GLU 78 1HG GLU 78 3.864 11.242 -6.976 634 H ILE 79 H ILE 79 1.324 10.773 -3.067 635 HA ILE 79 HA ILE 79 0.720 8.187 -2.373 636 HB ILE 79 HB ILE 79 0.019 10.671 -0.813 637 1HG1 ILE 79 2HG1 ILE 79 2.445 8.861 -0.693 638 2HG1 ILE 79 1HG1 ILE 79 2.410 10.460 -1.431 639 1HG2 ILE 79 1HG2 ILE 79 -1.203 8.728 0.013 640 2HG2 ILE 79 2HG2 ILE 79 0.046 9.220 1.155 641 3HG2 ILE 79 3HG2 ILE 79 0.302 7.816 0.119 642 1HD1 ILE 79 1HD1 ILE 79 1.919 11.450 0.742 643 2HD1 ILE 79 2HD1 ILE 79 3.420 10.524 0.773 644 3HD1 ILE 79 3HD1 ILE 79 1.951 9.848 1.478 645 HA PRO 80 HA PRO 80 -4.005 9.158 -1.834 646 1HB PRO 80 2HB PRO 80 -4.967 11.245 -3.335 647 2HB PRO 80 1HB PRO 80 -4.533 11.368 -1.627 648 1HG PRO 80 2HG PRO 80 -2.942 12.125 -4.048 649 2HG PRO 80 1HG PRO 80 -3.136 12.997 -2.515 650 1HD PRO 80 2HD PRO 80 -0.931 11.564 -3.035 651 2HD PRO 80 1HD PRO 80 -1.626 11.633 -1.401 652 H ILE 81 H ILE 81 -2.428 9.889 -4.899 653 HA ILE 81 HA ILE 81 -4.533 8.788 -6.516 654 HB ILE 81 HB ILE 81 -1.675 9.443 -7.255 655 1HG1 ILE 81 2HG1 ILE 81 -4.212 11.058 -7.609 656 2HG1 ILE 81 1HG1 ILE 81 -2.955 11.390 -6.427 657 1HG2 ILE 81 1HG2 ILE 81 -4.081 8.933 -9.001 658 2HG2 ILE 81 2HG2 ILE 81 -2.681 7.875 -8.816 659 3HG2 ILE 81 3HG2 ILE 81 -2.498 9.462 -9.565 660 1HD1 ILE 81 1HD1 ILE 81 -1.364 11.801 -8.233 661 2HD1 ILE 81 2HD1 ILE 81 -2.765 12.870 -8.330 662 3HD1 ILE 81 3HD1 ILE 81 -2.636 11.484 -9.413 663 H LEU 82 H LEU 82 -1.346 7.727 -5.419 664 HA LEU 82 HA LEU 82 -1.220 5.280 -6.771 665 1HB LEU 82 2HB LEU 82 -0.093 5.969 -4.057 666 2HB LEU 82 1HB LEU 82 0.408 4.623 -5.059 667 HG LEU 82 HG LEU 82 0.764 7.545 -5.731 668 1HD1 LEU 82 1HD1 LEU 82 2.745 5.433 -4.899 669 2HD1 LEU 82 2HD1 LEU 82 2.240 6.830 -3.948 670 3HD1 LEU 82 3HD1 LEU 82 3.152 7.062 -5.439 671 1HD2 LEU 82 1HD2 LEU 82 0.410 6.195 -7.726 672 2HD2 LEU 82 2HD2 LEU 82 1.669 5.076 -7.201 673 3HD2 LEU 82 3HD2 LEU 82 2.085 6.739 -7.616 674 H TRP 83 H TRP 83 -2.415 6.009 -3.495 675 HA TRP 83 HA TRP 83 -3.253 3.368 -2.923 676 1HB TRP 83 2HB TRP 83 -2.910 5.022 -1.151 677 2HB TRP 83 1HB TRP 83 -4.241 5.991 -1.777 678 HD1 TRP 83 HD TRP 83 -6.451 5.627 -0.560 679 HE1 TRP 83 1HE TRP 83 -7.508 3.736 0.826 680 HE3 TRP 83 3HE TRP 83 -2.743 2.132 -0.973 681 HZ2 TRP 83 2HZ TRP 83 -6.861 1.123 1.641 682 HZ3 TRP 83 3HZ TRP 83 -3.044 -0.033 0.127 683 HH2 TRP 83 HH TRP 83 -5.059 -0.533 1.412 684 H LYS 84 H LYS 84 -4.875 6.147 -4.396 685 HA LYS 84 HA LYS 84 -7.466 5.119 -4.487 686 1HB LYS 84 2HB LYS 84 -6.971 7.438 -5.073 687 2HB LYS 84 1HB LYS 84 -6.094 6.911 -6.502 688 1HG LYS 84 2HG LYS 84 -8.162 5.953 -7.407 689 2HG LYS 84 1HG LYS 84 -9.035 6.522 -5.985 690 1HD LYS 84 2HD LYS 84 -8.581 8.815 -6.563 691 2HD LYS 84 1HD LYS 84 -7.553 8.312 -7.909 692 1HE LYS 84 2HE LYS 84 -9.467 7.282 -9.002 693 2HE LYS 84 1HE LYS 84 -10.498 7.716 -7.641 694 1HZ LYS 84 1HZ LYS 84 -10.734 9.232 -9.521 695 2HZ LYS 84 2HZ LYS 84 -9.096 9.662 -9.399 696 3HZ LYS 84 3HZ LYS 84 -10.170 10.034 -8.138 697 H SER 85 H SER 85 -4.847 4.852 -6.861 698 HA SER 85 HA SER 85 -6.214 3.319 -8.754 699 1HB SER 85 2HB SER 85 -3.258 3.282 -8.098 700 2HB SER 85 1HB SER 85 -3.990 2.694 -9.592 701 HG SER 85 HG SER 85 -3.085 5.008 -9.365 702 H ALA 86 H ALA 86 -4.293 2.289 -5.945 703 HA ALA 86 HA ALA 86 -4.560 -0.495 -6.393 704 1HB ALA 86 1HB ALA 86 -2.860 0.441 -4.903 705 2HB ALA 86 2HB ALA 86 -3.862 -0.745 -4.067 706 3HB ALA 86 3HB ALA 86 -4.125 0.977 -3.796 707 H TRP 87 H TRP 87 -6.421 1.824 -4.499 708 HA TRP 87 HA TRP 87 -8.307 0.077 -3.398 709 1HB TRP 87 2HB TRP 87 -7.977 2.434 -2.706 710 2HB TRP 87 1HB TRP 87 -8.667 2.967 -4.230 711 HD1 TRP 87 HD TRP 87 -11.071 3.700 -3.997 712 HE1 TRP 87 1HE TRP 87 -13.066 3.121 -2.475 713 HE3 TRP 87 3HE TRP 87 -8.885 0.057 -1.162 714 HZ2 TRP 87 2HZ TRP 87 -13.633 1.349 -0.350 715 HZ3 TRP 87 3HZ TRP 87 -10.220 -1.030 0.594 716 HH2 TRP 87 HH TRP 87 -12.544 -0.396 0.991 717 H THR 88 H THR 88 -8.192 1.741 -6.497 718 HA THR 88 HA THR 88 -10.756 1.180 -7.440 719 HB THR 88 HB THR 88 -8.211 1.426 -9.068 720 HG1 THR 88 1HG THR 88 -8.619 3.253 -7.716 721 1HG2 THR 88 1HG2 THR 88 -9.685 2.132 -10.888 722 2HG2 THR 88 2HG2 THR 88 -11.096 1.875 -9.861 723 3HG2 THR 88 3HG2 THR 88 -10.097 0.505 -10.350 724 H LEU 89 H LEU 89 -7.845 -0.804 -7.410 725 HA LEU 89 HA LEU 89 -8.688 -2.815 -9.177 726 1HB LEU 89 2HB LEU 89 -6.925 -3.095 -6.743 727 2HB LEU 89 1HB LEU 89 -7.047 -4.249 -8.055 728 HG LEU 89 HG LEU 89 -5.962 -1.440 -8.284 729 1HD1 LEU 89 1HD1 LEU 89 -4.575 -4.114 -8.338 730 2HD1 LEU 89 2HD1 LEU 89 -4.491 -2.929 -7.036 731 3HD1 LEU 89 3HD1 LEU 89 -3.812 -2.549 -8.619 732 1HD2 LEU 89 1HD2 LEU 89 -6.154 -3.663 -10.313 733 2HD2 LEU 89 2HD2 LEU 89 -5.283 -2.147 -10.542 734 3HD2 LEU 89 3HD2 LEU 89 -7.037 -2.137 -10.346 735 H HIS 90 H HIS 90 -9.274 -2.320 -5.747 736 HA HIS 90 HA HIS 90 -10.636 -4.854 -5.463 737 1HB HIS 90 2HB HIS 90 -9.287 -3.790 -3.618 738 2HB HIS 90 1HB HIS 90 -10.541 -2.560 -3.494 739 HD1 HIS 90 1HD HIS 90 -12.361 -3.051 -1.882 740 HD2 HIS 90 2HD HIS 90 -10.386 -6.500 -3.111 741 HE1 HIS 90 1HE HIS 90 -13.313 -4.918 -0.482 742 HE2 HIS 90 2HE HIS 90 -12.258 -7.021 -1.398 743 H VAL 91 H VAL 91 -11.469 -1.465 -5.866 744 HA VAL 91 HA VAL 91 -14.252 -1.709 -5.411 745 HB VAL 91 HB VAL 91 -12.760 0.278 -7.133 746 1HG1 VAL 91 1HG1 VAL 91 -14.746 1.691 -6.939 747 2HG1 VAL 91 2HG1 VAL 91 -15.583 0.399 -6.080 748 3HG1 VAL 91 3HG1 VAL 91 -15.117 0.180 -7.767 749 1HG2 VAL 91 1HG2 VAL 91 -13.760 0.460 -4.295 750 2HG2 VAL 91 2HG2 VAL 91 -13.024 1.778 -5.206 751 3HG2 VAL 91 3HG2 VAL 91 -12.075 0.347 -4.805 752 H GLU 92 H GLU 92 -12.224 -2.164 -8.247 753 HA GLU 92 HA GLU 92 -14.171 -2.533 -10.204 754 1HB GLU 92 2HB GLU 92 -11.657 -2.485 -10.526 755 2HB GLU 92 1HB GLU 92 -11.623 -4.143 -9.942 756 1HG GLU 92 2HG GLU 92 -11.576 -4.325 -12.262 757 2HG GLU 92 1HG GLU 92 -13.250 -4.667 -11.825 758 H GLY 93 H GLY 93 -12.379 -5.326 -9.002 759 1HA GLY 93 2HA GLY 93 -13.049 -7.473 -8.501 760 2HA GLY 93 1HA GLY 93 -14.165 -6.639 -7.438 761 H PHE 94 H PHE 94 -14.091 -6.836 -10.984 762 HA PHE 94 HA PHE 94 -16.840 -6.947 -11.297 763 1HB PHE 94 2HB PHE 94 -15.226 -6.427 -13.105 764 2HB PHE 94 1HB PHE 94 -14.767 -8.126 -13.161 765 HD1 PHE 94 1HD PHE 94 -17.641 -5.826 -13.587 766 HD2 PHE 94 2HD PHE 94 -15.961 -9.630 -14.490 767 HE1 PHE 94 1HE PHE 94 -19.455 -6.245 -15.195 768 HE2 PHE 94 2HE PHE 94 -17.774 -10.054 -16.096 769 HZ PHE 94 HZ PHE 94 -19.523 -8.360 -16.452 770 H HIS 95 H HIS 95 -14.525 -9.627 -11.192 771 HA HIS 95 HA HIS 95 -16.580 -11.369 -10.149 772 1HB HIS 95 2HB HIS 95 -16.822 -11.559 -12.628 773 2HB HIS 95 1HB HIS 95 -15.152 -12.104 -12.719 774 HD1 HIS 95 1HD HIS 95 -18.585 -13.228 -11.768 775 HD2 HIS 95 2HD HIS 95 -14.713 -14.748 -11.865 776 HE1 HIS 95 1HE HIS 95 -18.822 -15.715 -11.485 777 HE2 HIS 95 2HE HIS 95 -16.460 -16.596 -11.411 778 H GLU 96 H GLU 96 -13.517 -12.010 -11.814 779 HA GLU 96 HA GLU 96 -12.558 -13.347 -9.395 780 1HB GLU 96 2HB GLU 96 -12.566 -14.557 -11.577 781 2HB GLU 96 1HB GLU 96 -11.419 -13.379 -12.198 782 1HG GLU 96 2HG GLU 96 -9.804 -14.068 -10.490 783 2HG GLU 96 1HG GLU 96 -10.955 -15.269 -9.905 784 H LEU 97 H LEU 97 -10.838 -12.616 -8.253 785 HA LEU 97 HA LEU 97 -9.798 -10.000 -8.865 786 1HB LEU 97 2HB LEU 97 -9.245 -11.940 -6.624 787 2HB LEU 97 1HB LEU 97 -8.388 -10.422 -6.792 788 HG LEU 97 HG LEU 97 -10.082 -10.069 -5.180 789 1HD1 LEU 97 1HD1 LEU 97 -11.494 -8.356 -6.216 790 2HD1 LEU 97 2HD1 LEU 97 -11.016 -8.938 -7.810 791 3HD1 LEU 97 3HD1 LEU 97 -9.813 -8.233 -6.731 792 1HD2 LEU 97 1HD2 LEU 97 -11.497 -11.984 -5.641 793 2HD2 LEU 97 2HD2 LEU 97 -12.047 -11.242 -7.144 794 3HD2 LEU 97 3HD2 LEU 97 -12.460 -10.508 -5.594 795 H SER 98 H SER 98 -8.789 -10.449 -10.846 796 HA SER 98 HA SER 98 -6.069 -11.429 -10.564 797 1HB SER 98 2HB SER 98 -7.470 -13.404 -11.244 798 2HB SER 98 1HB SER 98 -7.912 -12.526 -12.707 799 HG SER 98 HG SER 98 -5.823 -14.054 -12.348 800 H LEU 99 H LEU 99 -8.505 -10.334 -12.904 801 HA LEU 99 HA LEU 99 -8.562 -8.661 -14.422 802 1HB LEU 99 2HB LEU 99 -6.326 -7.564 -12.722 803 2HB LEU 99 1HB LEU 99 -7.134 -6.664 -13.990 804 HG LEU 99 HG LEU 99 -8.450 -7.719 -11.485 805 1HD1 LEU 99 1HD1 LEU 99 -7.651 -4.924 -12.285 806 2HD1 LEU 99 2HD1 LEU 99 -6.946 -5.892 -10.987 807 3HD1 LEU 99 3HD1 LEU 99 -8.619 -5.344 -10.872 808 1HD2 LEU 99 1HD2 LEU 99 -10.382 -6.410 -12.205 809 2HD2 LEU 99 2HD2 LEU 99 -9.976 -7.648 -13.395 810 3HD2 LEU 99 3HD2 LEU 99 -9.538 -5.964 -13.686 811 H ASN 100 H ASN 100 -6.515 -7.124 -15.567 812 HA ASN 100 HA ASN 100 -5.257 -9.165 -17.227 813 1HB ASN 100 2HB ASN 100 -4.869 -6.261 -17.772 814 2HB ASN 100 1HB ASN 100 -5.128 -7.584 -18.898 815 1HD2 ASN 100 1HD2 ASN 100 -7.239 -8.237 -19.376 816 2HD2 ASN 100 2HD2 ASN 100 -8.605 -7.235 -18.999 817 H GLU 101 H GLU 101 -3.077 -9.444 -17.397 818 HA GLU 101 HA GLU 101 -1.312 -8.621 -15.371 819 1HB GLU 101 2HB GLU 101 -0.965 -10.567 -16.900 820 2HB GLU 101 1HB GLU 101 -0.638 -9.442 -18.209 821 1HG GLU 101 2HG GLU 101 1.240 -8.539 -16.757 822 2HG GLU 101 1HG GLU 101 1.001 -9.970 -15.754 823 H LYS 102 H LYS 102 -2.069 -7.359 -18.525 824 HA LYS 102 HA LYS 102 -0.329 -5.281 -18.898 825 1HB LYS 102 2HB LYS 102 -2.045 -6.043 -20.466 826 2HB LYS 102 1HB LYS 102 -3.301 -5.440 -19.410 827 1HG LYS 102 2HG LYS 102 -2.351 -3.159 -19.740 828 2HG LYS 102 1HG LYS 102 -1.320 -3.856 -20.995 829 1HD LYS 102 2HD LYS 102 -3.276 -4.635 -22.207 830 2HD LYS 102 1HD LYS 102 -4.333 -4.020 -20.938 831 1HE LYS 102 2HE LYS 102 -3.473 -1.734 -21.426 832 2HE LYS 102 1HE LYS 102 -2.585 -2.416 -22.792 833 1HZ LYS 102 1HZ LYS 102 -4.665 -1.534 -23.571 834 2HZ LYS 102 2HZ LYS 102 -5.530 -2.419 -22.413 835 3HZ LYS 102 3HZ LYS 102 -4.732 -3.228 -23.668 836 H GLU 103 H GLU 103 -3.340 -5.307 -17.054 837 HA GLU 103 HA GLU 103 -3.196 -2.539 -16.345 838 1HB GLU 103 2HB GLU 103 -5.307 -3.932 -16.579 839 2HB GLU 103 1HB GLU 103 -4.889 -4.674 -15.041 840 1HG GLU 103 2HG GLU 103 -6.525 -2.910 -14.754 841 2HG GLU 103 1HG GLU 103 -5.011 -2.508 -13.945 842 H VAL 104 H VAL 104 -2.751 -5.574 -14.536 843 HA VAL 104 HA VAL 104 -2.089 -4.434 -12.064 844 HB VAL 104 HB VAL 104 -1.122 -7.067 -13.201 845 1HG1 VAL 104 1HG1 VAL 104 -1.334 -6.139 -10.342 846 2HG1 VAL 104 2HG1 VAL 104 0.161 -6.384 -11.246 847 3HG1 VAL 104 3HG1 VAL 104 -0.879 -7.758 -10.871 848 1HG2 VAL 104 1HG2 VAL 104 -3.551 -6.898 -13.247 849 2HG2 VAL 104 2HG2 VAL 104 -3.562 -6.432 -11.546 850 3HG2 VAL 104 3HG2 VAL 104 -3.030 -8.046 -12.014 851 H LYS 105 H LYS 105 -0.197 -4.980 -14.934 852 HA LYS 105 HA LYS 105 2.398 -4.905 -13.977 853 1HB LYS 105 2HB LYS 105 1.401 -5.190 -16.389 854 2HB LYS 105 1HB LYS 105 1.693 -3.460 -16.497 855 1HG LYS 105 2HG LYS 105 4.071 -3.913 -15.862 856 2HG LYS 105 1HG LYS 105 3.714 -5.634 -16.025 857 1HD LYS 105 2HD LYS 105 3.638 -3.511 -18.161 858 2HD LYS 105 1HD LYS 105 4.677 -4.932 -18.082 859 1HE LYS 105 2HE LYS 105 1.688 -4.920 -18.484 860 2HE LYS 105 1HE LYS 105 2.904 -5.253 -19.714 861 1HZ LYS 105 1HZ LYS 105 3.585 -7.206 -18.452 862 2HZ LYS 105 2HZ LYS 105 1.943 -7.287 -18.873 863 3HZ LYS 105 3HZ LYS 105 2.392 -6.887 -17.292 864 H LYS 106 H LYS 106 0.222 -2.202 -14.725 865 HA LYS 106 HA LYS 106 2.234 -0.206 -14.286 866 1HB LYS 106 2HB LYS 106 -0.775 0.034 -14.415 867 2HB LYS 106 1HB LYS 106 0.334 1.397 -14.344 868 1HG LYS 106 2HG LYS 106 1.356 0.569 -16.471 869 2HG LYS 106 1HG LYS 106 0.061 -0.628 -16.555 870 1HD LYS 106 2HD LYS 106 -0.293 2.370 -16.495 871 2HD LYS 106 1HD LYS 106 -0.453 1.337 -17.917 872 1HE LYS 106 2HE LYS 106 -2.137 1.099 -15.429 873 2HE LYS 106 1HE LYS 106 -2.622 1.968 -16.885 874 1HZ LYS 106 1HZ LYS 106 -3.453 -0.384 -16.633 875 2HZ LYS 106 2HZ LYS 106 -1.864 -0.894 -16.937 876 3HZ LYS 106 3HZ LYS 106 -2.708 -0.012 -18.112 877 H LEU 107 H LEU 107 -0.395 -1.575 -12.374 878 HA LEU 107 HA LEU 107 -0.099 0.123 -10.132 879 1HB LEU 107 2HB LEU 107 -1.448 -2.457 -10.684 880 2HB LEU 107 1HB LEU 107 -1.087 -2.113 -9.004 881 HG LEU 107 HG LEU 107 -3.340 -1.426 -9.496 882 1HD1 LEU 107 1HD1 LEU 107 -2.091 -0.070 -7.916 883 2HD1 LEU 107 2HD1 LEU 107 -3.229 0.922 -8.828 884 3HD1 LEU 107 3HD1 LEU 107 -1.512 0.954 -9.229 885 1HD2 LEU 107 1HD2 LEU 107 -3.880 0.273 -11.135 886 2HD2 LEU 107 2HD2 LEU 107 -3.087 -1.094 -11.921 887 3HD2 LEU 107 3HD2 LEU 107 -2.183 0.387 -11.610 888 H LYS 108 H LYS 108 1.472 -2.870 -11.082 889 HA LYS 108 HA LYS 108 2.774 -3.550 -8.727 890 1HB LYS 108 2HB LYS 108 2.746 -4.873 -10.866 891 2HB LYS 108 1HB LYS 108 3.926 -3.750 -11.523 892 1HG LYS 108 2HG LYS 108 4.536 -5.157 -8.968 893 2HG LYS 108 1HG LYS 108 4.667 -6.037 -10.489 894 1HD LYS 108 2HD LYS 108 6.053 -3.418 -9.920 895 2HD LYS 108 1HD LYS 108 6.803 -5.002 -9.708 896 1HE LYS 108 2HE LYS 108 6.418 -5.471 -12.099 897 2HE LYS 108 1HE LYS 108 5.734 -3.857 -12.289 898 1HZ LYS 108 1HZ LYS 108 8.500 -4.377 -11.342 899 2HZ LYS 108 2HZ LYS 108 7.825 -2.876 -11.767 900 3HZ LYS 108 3HZ LYS 108 8.100 -4.055 -12.960 901 H GLU 109 H GLU 109 3.609 -1.139 -11.154 902 HA GLU 109 HA GLU 109 6.136 -0.463 -10.012 903 1HB GLU 109 2HB GLU 109 4.716 0.168 -12.362 904 2HB GLU 109 1HB GLU 109 4.973 1.694 -11.526 905 1HG GLU 109 2HG GLU 109 6.778 1.296 -13.055 906 2HG GLU 109 1HG GLU 109 7.373 1.204 -11.397 907 H ASP 110 H ASP 110 2.846 0.612 -9.578 908 HA ASP 110 HA ASP 110 3.578 2.974 -8.122 909 1HB ASP 110 2HB ASP 110 0.954 1.628 -8.699 910 2HB ASP 110 1HB ASP 110 1.060 2.973 -7.567 911 H VAL 111 H VAL 111 2.631 -0.316 -7.286 912 HA VAL 111 HA VAL 111 2.534 0.132 -4.474 913 HB VAL 111 HB VAL 111 3.240 -2.428 -5.937 914 1HG1 VAL 111 1HG1 VAL 111 3.919 -2.454 -3.590 915 2HG1 VAL 111 2HG1 VAL 111 2.580 -3.561 -3.887 916 3HG1 VAL 111 3HG1 VAL 111 2.282 -2.005 -3.109 917 1HG2 VAL 111 1HG2 VAL 111 0.886 -3.029 -5.603 918 2HG2 VAL 111 2HG2 VAL 111 1.061 -1.592 -6.608 919 3HG2 VAL 111 3HG2 VAL 111 0.582 -1.432 -4.919 920 H ARG 112 H ARG 112 5.103 -0.541 -6.772 921 HA ARG 112 HA ARG 112 7.231 -0.953 -5.003 922 1HB ARG 112 2HB ARG 112 7.360 -1.252 -7.467 923 2HB ARG 112 1HB ARG 112 7.289 0.493 -7.664 924 1HG ARG 112 2HG ARG 112 9.559 -0.201 -7.894 925 2HG ARG 112 1HG ARG 112 9.400 0.669 -6.366 926 1HD ARG 112 2HD ARG 112 9.267 -1.461 -5.169 927 2HD ARG 112 1HD ARG 112 9.425 -2.331 -6.694 928 HE ARG 112 HE ARG 112 11.592 -0.523 -6.258 929 1HH1 ARG 112 1HH1 ARG 112 10.365 -3.692 -5.452 930 2HH1 ARG 112 2HH1 ARG 112 11.926 -4.357 -5.086 931 1HH2 ARG 112 1HH2 ARG 112 13.659 -1.364 -5.761 932 2HH2 ARG 112 2HH2 ARG 112 13.804 -3.019 -5.229 933 H LYS 113 H LYS 113 5.746 2.006 -6.225 934 HA LYS 113 HA LYS 113 7.417 3.928 -5.108 935 1HB LYS 113 2HB LYS 113 4.404 4.097 -5.229 936 2HB LYS 113 1HB LYS 113 5.543 5.427 -5.233 937 1HG LYS 113 2HG LYS 113 5.564 3.424 -7.443 938 2HG LYS 113 1HG LYS 113 4.380 4.729 -7.428 939 1HD LYS 113 2HD LYS 113 6.300 6.332 -7.208 940 2HD LYS 113 1HD LYS 113 7.382 4.965 -7.493 941 1HE LYS 113 2HE LYS 113 6.935 6.219 -9.553 942 2HE LYS 113 1HE LYS 113 6.338 4.562 -9.653 943 1HZ LYS 113 1HZ LYS 113 4.738 6.131 -10.547 944 2HZ LYS 113 2HZ LYS 113 4.686 6.971 -9.070 945 3HZ LYS 113 3HZ LYS 113 4.106 5.376 -9.166 946 H LEU 114 H LEU 114 4.481 2.441 -3.761 947 HA LEU 114 HA LEU 114 4.442 3.861 -1.368 948 1HB LEU 114 2HB LEU 114 3.157 1.424 -2.438 949 2HB LEU 114 1HB LEU 114 3.137 1.617 -0.707 950 HG LEU 114 HG LEU 114 2.152 3.944 -1.158 951 1HD1 LEU 114 1HD1 LEU 114 2.679 4.048 -3.523 952 2HD1 LEU 114 2HD1 LEU 114 0.935 4.141 -3.269 953 3HD1 LEU 114 3HD1 LEU 114 1.668 2.635 -3.823 954 1HD2 LEU 114 1HD2 LEU 114 -0.111 3.032 -1.354 955 2HD2 LEU 114 2HD2 LEU 114 0.865 2.114 -0.206 956 3HD2 LEU 114 3HD2 LEU 114 0.565 1.472 -1.819 957 H VAL 115 H VAL 115 5.795 0.648 -2.087 958 HA VAL 115 HA VAL 115 6.414 0.057 0.597 959 HB VAL 115 HB VAL 115 7.698 -1.081 -1.895 960 1HG1 VAL 115 1HG1 VAL 115 8.273 -2.996 -0.462 961 2HG1 VAL 115 2HG1 VAL 115 7.625 -2.136 0.935 962 3HG1 VAL 115 3HG1 VAL 115 9.042 -1.510 0.093 963 1HG2 VAL 115 1HG2 VAL 115 5.359 -2.074 -0.260 964 2HG2 VAL 115 2HG2 VAL 115 6.098 -2.921 -1.619 965 3HG2 VAL 115 3HG2 VAL 115 5.276 -1.384 -1.883 966 H ILE 116 H ILE 116 8.462 1.336 -2.027 967 HA ILE 116 HA ILE 116 10.778 1.599 -0.428 968 HB ILE 116 HB ILE 116 9.965 3.232 -2.846 969 1HG1 ILE 116 2HG1 ILE 116 11.777 0.819 -2.609 970 2HG1 ILE 116 1HG1 ILE 116 10.158 0.812 -3.297 971 1HG2 ILE 116 1HG2 ILE 116 12.664 2.922 -1.536 972 2HG2 ILE 116 2HG2 ILE 116 11.662 4.372 -1.499 973 3HG2 ILE 116 3HG2 ILE 116 12.337 3.805 -3.027 974 1HD1 ILE 116 1HD1 ILE 116 12.505 2.352 -4.380 975 2HD1 ILE 116 2HD1 ILE 116 10.891 2.273 -5.088 976 3HD1 ILE 116 3HD1 ILE 116 11.893 0.823 -5.015 977 H PHE 117 H PHE 117 7.927 3.571 -0.873 978 HA PHE 117 HA PHE 117 9.081 5.978 0.145 979 1HB PHE 117 2HB PHE 117 7.057 5.809 -1.388 980 2HB PHE 117 1HB PHE 117 6.136 5.342 0.035 981 HD1 PHE 117 2HD PHE 117 8.096 8.056 -1.496 982 HD2 PHE 117 1HD PHE 117 5.426 6.951 1.627 983 HE1 PHE 117 2HE PHE 117 7.767 10.431 -0.944 984 HE2 PHE 117 1HE PHE 117 5.096 9.324 2.188 985 HZ PHE 117 HZ PHE 117 6.267 11.067 0.903 986 H ALA 118 H ALA 118 7.037 3.433 1.509 987 HA ALA 118 HA ALA 118 6.702 4.606 4.059 988 1HB ALA 118 1HB ALA 118 5.314 2.758 3.267 989 2HB ALA 118 2HB ALA 118 6.087 2.355 4.802 990 3HB ALA 118 3HB ALA 118 6.712 1.681 3.296 991 H VAL 119 H VAL 119 9.096 2.240 2.866 992 HA VAL 119 HA VAL 119 10.497 2.051 5.320 993 HB VAL 119 HB VAL 119 11.621 1.603 2.548 994 1HG1 VAL 119 1HG1 VAL 119 13.313 1.725 4.307 995 2HG1 VAL 119 2HG1 VAL 119 13.164 0.081 3.681 996 3HG1 VAL 119 3HG1 VAL 119 12.442 0.501 5.233 997 1HG2 VAL 119 1HG2 VAL 119 9.594 0.302 2.825 998 2HG2 VAL 119 2HG2 VAL 119 10.171 -0.310 4.375 999 3HG2 VAL 119 3HG2 VAL 119 11.001 -0.758 2.885 1000 H ASN 120 H ASN 120 10.776 4.157 2.523 1001 HA ASN 120 HA ASN 120 13.097 5.582 3.253 1002 1HB ASN 120 2HB ASN 120 11.653 5.588 1.058 1003 2HB ASN 120 1HB ASN 120 10.774 6.881 1.858 1004 1HD2 ASN 120 1HD2 ASN 120 14.235 6.198 1.983 1005 2HD2 ASN 120 2HD2 ASN 120 14.719 7.663 1.210 1006 H SER 121 H SER 121 9.696 5.961 4.050 1007 HA SER 121 HA SER 121 9.834 8.386 5.441 1008 1HB SER 121 2HB SER 121 7.952 6.030 5.669 1009 2HB SER 121 1HB SER 121 7.691 7.562 6.479 1010 HG SER 121 HG SER 121 7.901 7.147 3.680 1011 H LEU 122 H LEU 122 10.238 5.029 6.488 1012 HA LEU 122 HA LEU 122 10.589 5.714 9.237 1013 1HB LEU 122 2HB LEU 122 10.896 3.218 7.644 1014 2HB LEU 122 1HB LEU 122 11.640 3.298 9.225 1015 HG LEU 122 HG LEU 122 9.363 3.859 10.161 1016 1HD1 LEU 122 1HD1 LEU 122 8.457 2.990 7.424 1017 2HD1 LEU 122 2HD1 LEU 122 8.303 4.610 8.105 1018 3HD1 LEU 122 3HD1 LEU 122 7.418 3.263 8.822 1019 1HD2 LEU 122 1HD2 LEU 122 8.581 1.529 10.072 1020 2HD2 LEU 122 2HD2 LEU 122 10.312 1.646 10.387 1021 3HD2 LEU 122 3HD2 LEU 122 9.736 1.206 8.779 1022 H GLU 123 H GLU 123 12.906 4.069 7.135 1023 HA GLU 123 HA GLU 123 15.159 3.811 7.374 1024 1HB GLU 123 2HB GLU 123 15.031 6.820 7.639 1025 2HB GLU 123 1HB GLU 123 16.467 5.885 7.247 1026 1HG GLU 123 2HG GLU 123 15.131 5.019 5.244 1027 2HG GLU 123 1HG GLU 123 14.026 6.353 5.576 1028 H HIS 124 H HIS 124 14.108 3.035 9.580 1029 HA HIS 124 HA HIS 124 14.892 4.564 11.912 1030 1HB HIS 124 2HB HIS 124 12.745 3.176 11.586 1031 2HB HIS 124 1HB HIS 124 13.758 1.767 11.849 1032 HD1 HIS 124 1HD HIS 124 12.269 4.719 13.621 1033 HD2 HIS 124 2HD HIS 124 14.462 1.294 14.506 1034 HE1 HIS 124 1HE HIS 124 12.153 4.464 16.119 1035 HE2 HIS 124 2HE HIS 124 13.209 2.227 16.570 1036 H HIS 125 H HIS 125 17.104 3.902 10.395 1037 HA HIS 125 HA HIS 125 18.256 1.401 11.275 1038 1HB HIS 125 2HB HIS 125 18.538 2.459 8.962 1039 2HB HIS 125 1HB HIS 125 19.663 3.576 9.724 1040 HD1 HIS 125 1HD HIS 125 19.356 0.146 8.408 1041 HD2 HIS 125 2HD HIS 125 22.094 2.345 10.641 1042 HE1 HIS 125 1HE HIS 125 21.496 -1.182 8.365 1043 HE2 HIS 125 2HE HIS 125 23.109 0.109 9.811 1044 H HIS 126 H HIS 126 17.849 2.586 13.550 1045 HA HIS 126 HA HIS 126 18.889 2.921 15.540 1046 1HB HIS 126 2HB HIS 126 20.601 1.359 14.528 1047 2HB HIS 126 1HB HIS 126 21.520 2.781 14.058 1048 HD1 HIS 126 1HD HIS 126 21.237 0.372 16.694 1049 HD2 HIS 126 2HD HIS 126 22.232 4.408 16.476 1050 HE1 HIS 126 1HE HIS 126 22.476 0.886 18.827 1051 HE2 HIS 126 2HE HIS 126 22.944 3.364 18.732 1052 H HIS 127 H HIS 127 21.119 4.587 13.305 1053 HA HIS 127 HA HIS 127 20.402 7.182 14.358 1054 1HB HIS 127 2HB HIS 127 21.878 6.434 16.129 1055 2HB HIS 127 1HB HIS 127 23.079 5.900 14.964 1056 HD1 HIS 127 1HD HIS 127 21.629 9.046 16.467 1057 HD2 HIS 127 2HD HIS 127 24.874 7.823 14.167 1058 HE1 HIS 127 1HE HIS 127 23.185 11.023 16.375 1059 HE2 HIS 127 2HE HIS 127 25.216 10.196 15.130 1060 H HIS 128 H HIS 128 21.062 8.839 12.985 1061 HA HIS 128 HA HIS 128 21.745 8.018 10.323 1062 1HB HIS 128 2HB HIS 128 21.443 10.768 11.542 1063 2HB HIS 128 1HB HIS 128 21.737 10.476 9.833 1064 HD1 HIS 128 1HD HIS 128 19.080 11.269 11.972 1065 HD2 HIS 128 2HD HIS 128 19.542 8.561 8.851 1066 HE1 HIS 128 1HE HIS 128 16.752 10.750 11.176 1067 HE2 HIS 128 2HE HIS 128 17.073 9.279 9.151 1068 H HIS 129 H HIS 129 23.727 7.612 9.623 1069 HA HIS 129 HA HIS 129 25.954 9.165 10.758 1070 1HB HIS 129 2HB HIS 129 26.338 6.797 11.052 1071 2HB HIS 129 1HB HIS 129 25.972 6.479 9.359 1072 HD1 HIS 129 1HD HIS 129 28.380 9.000 10.925 1073 HD2 HIS 129 2HD HIS 129 28.335 5.839 8.216 1074 HE1 HIS 129 1HE HIS 129 30.711 8.873 9.990 1075 HE2 HIS 129 2HE HIS 129 30.631 7.038 8.265 Start of MODEL 12 1 1H MET 1 1HT MET 1 17.034 -7.296 3.634 2 2H MET 1 2HT MET 1 16.432 -5.879 4.343 3 3H MET 1 3HT MET 1 16.835 -7.207 5.318 4 HA MET 1 HA MET 1 19.156 -6.996 4.656 5 1HB MET 1 2HB MET 1 18.814 -5.895 2.503 6 2HB MET 1 1HB MET 1 18.163 -4.473 3.307 7 1HG MET 1 2HG MET 1 20.367 -4.194 4.438 8 2HG MET 1 1HG MET 1 20.983 -5.509 3.439 9 1HE MET 1 1HE MET 1 22.080 -2.399 3.670 10 2HE MET 1 2HE MET 1 22.564 -2.171 1.989 11 3HE MET 1 3HE MET 1 22.908 -3.696 2.802 12 H SER 2 H SER 2 17.881 -3.708 5.000 13 HA SER 2 HA SER 2 19.227 -3.396 7.516 14 1HB SER 2 2HB SER 2 17.209 -1.485 6.334 15 2HB SER 2 1HB SER 2 18.583 -1.116 7.377 16 HG SER 2 HG SER 2 18.470 -1.250 4.683 17 H ILE 3 H ILE 3 15.860 -3.378 6.426 18 HA ILE 3 HA ILE 3 15.015 -4.444 9.008 19 HB ILE 3 HB ILE 3 13.024 -3.055 9.052 20 1HG1 ILE 3 2HG1 ILE 3 13.030 -2.623 6.560 21 2HG1 ILE 3 1HG1 ILE 3 12.622 -1.268 7.589 22 1HG2 ILE 3 1HG2 ILE 3 14.061 -0.933 9.719 23 2HG2 ILE 3 2HG2 ILE 3 15.573 -1.454 8.976 24 3HG2 ILE 3 3HG2 ILE 3 14.919 -2.335 10.357 25 1HD1 ILE 3 1HD1 ILE 3 15.292 -1.719 6.282 26 2HD1 ILE 3 2HD1 ILE 3 14.845 -0.331 7.275 27 3HD1 ILE 3 3HD1 ILE 3 14.047 -0.600 5.727 28 H SER 4 H SER 4 12.632 -5.165 8.793 29 HA SER 4 HA SER 4 11.988 -6.019 6.082 30 1HB SER 4 2HB SER 4 11.568 -8.363 6.908 31 2HB SER 4 1HB SER 4 13.268 -7.899 6.850 32 HG SER 4 HG SER 4 11.673 -7.699 9.188 33 H THR 5 H THR 5 10.257 -4.599 6.209 34 HA THR 5 HA THR 5 8.231 -5.103 8.253 35 HB THR 5 HB THR 5 7.098 -3.098 7.236 36 HG1 THR 5 1HG THR 5 9.073 -1.931 6.006 37 1HG2 THR 5 1HG2 THR 5 8.662 -1.469 8.191 38 2HG2 THR 5 2HG2 THR 5 9.930 -2.694 8.206 39 3HG2 THR 5 3HG2 THR 5 8.503 -2.889 9.224 40 H SER 6 H SER 6 5.891 -4.888 7.322 41 HA SER 6 HA SER 6 5.327 -7.133 5.787 42 1HB SER 6 2HB SER 6 3.580 -4.685 6.101 43 2HB SER 6 1HB SER 6 3.047 -6.323 5.722 44 HG SER 6 HG SER 6 2.834 -5.681 7.976 45 H ALA 7 H ALA 7 5.875 -3.805 4.805 46 HA ALA 7 HA ALA 7 4.796 -3.848 2.243 47 1HB ALA 7 1HB ALA 7 5.568 -1.810 3.334 48 2HB ALA 7 2HB ALA 7 6.304 -1.989 1.741 49 3HB ALA 7 3HB ALA 7 7.238 -2.356 3.192 50 H GLU 8 H GLU 8 8.164 -4.519 3.208 51 HA GLU 8 HA GLU 8 9.093 -5.253 0.665 52 1HB GLU 8 2HB GLU 8 10.050 -6.112 3.402 53 2HB GLU 8 1HB GLU 8 10.940 -6.380 1.912 54 1HG GLU 8 2HG GLU 8 10.152 -3.633 2.827 55 2HG GLU 8 1HG GLU 8 11.640 -4.415 3.358 56 H VAL 9 H VAL 9 7.960 -7.257 3.364 57 HA VAL 9 HA VAL 9 8.396 -9.746 2.173 58 HB VAL 9 HB VAL 9 6.284 -9.041 4.224 59 1HG1 VAL 9 1HG1 VAL 9 6.432 -11.404 4.865 60 2HG1 VAL 9 2HG1 VAL 9 7.557 -11.691 3.537 61 3HG1 VAL 9 3HG1 VAL 9 5.892 -11.219 3.196 62 1HG2 VAL 9 1HG2 VAL 9 9.119 -9.995 4.613 63 2HG2 VAL 9 2HG2 VAL 9 7.934 -9.709 5.887 64 3HG2 VAL 9 3HG2 VAL 9 8.532 -8.359 4.919 65 H TYR 10 H TYR 10 5.398 -7.816 2.319 66 HA TYR 10 HA TYR 10 3.867 -9.702 0.869 67 1HB TYR 10 2HB TYR 10 3.463 -6.859 1.687 68 2HB TYR 10 1HB TYR 10 2.380 -7.563 0.492 69 HD1 TYR 10 2HD TYR 10 1.097 -9.636 1.108 70 HD2 TYR 10 1HD TYR 10 3.179 -7.302 3.987 71 HE1 TYR 10 2HE TYR 10 -0.243 -10.656 2.891 72 HE2 TYR 10 1HE TYR 10 1.845 -8.318 5.785 73 HH TYR 10 HH TYR 10 -0.043 -11.095 5.297 74 H TYR 11 H TYR 11 5.770 -6.886 -0.138 75 HA TYR 11 HA TYR 11 4.783 -6.879 -2.806 76 1HB TYR 11 2HB TYR 11 6.030 -4.989 -1.637 77 2HB TYR 11 1HB TYR 11 7.507 -5.895 -1.948 78 HD1 TYR 11 2HD TYR 11 4.554 -4.448 -3.708 79 HD2 TYR 11 1HD TYR 11 8.650 -5.570 -3.956 80 HE1 TYR 11 2HE TYR 11 4.685 -3.453 -5.951 81 HE2 TYR 11 1HE TYR 11 8.793 -4.572 -6.202 82 HH TYR 11 HH TYR 11 6.248 -2.612 -7.508 83 H GLU 12 H GLU 12 7.445 -8.541 -1.202 84 HA GLU 12 HA GLU 12 8.585 -9.607 -3.590 85 1HB GLU 12 2HB GLU 12 9.778 -9.425 -1.378 86 2HB GLU 12 1HB GLU 12 8.786 -10.757 -0.799 87 1HG GLU 12 2HG GLU 12 9.690 -12.190 -2.572 88 2HG GLU 12 1HG GLU 12 10.709 -10.858 -3.115 89 H GLU 13 H GLU 13 6.148 -10.764 -1.294 90 HA GLU 13 HA GLU 13 5.856 -13.333 -2.440 91 1HB GLU 13 2HB GLU 13 3.889 -11.662 -0.874 92 2HB GLU 13 1HB GLU 13 3.599 -13.328 -1.353 93 1HG GLU 13 2HG GLU 13 5.710 -13.921 -0.113 94 2HG GLU 13 1HG GLU 13 5.673 -12.285 0.547 95 H ALA 14 H ALA 14 4.454 -10.203 -3.225 96 HA ALA 14 HA ALA 14 2.592 -11.069 -5.145 97 1HB ALA 14 1HB ALA 14 4.223 -8.527 -5.182 98 2HB ALA 14 2HB ALA 14 2.715 -8.756 -4.295 99 3HB ALA 14 3HB ALA 14 2.720 -8.822 -6.058 100 H GLU 15 H GLU 15 6.017 -10.284 -5.370 101 HA GLU 15 HA GLU 15 6.345 -10.831 -8.118 102 1HB GLU 15 2HB GLU 15 8.294 -10.898 -5.810 103 2HB GLU 15 1HB GLU 15 8.770 -11.038 -7.491 104 1HG GLU 15 2HG GLU 15 7.315 -8.682 -6.324 105 2HG GLU 15 1HG GLU 15 9.061 -8.774 -6.547 106 H GLU 16 H GLU 16 6.397 -12.851 -5.242 107 HA GLU 16 HA GLU 16 7.420 -15.199 -6.355 108 1HB GLU 16 2HB GLU 16 5.526 -14.693 -4.089 109 2HB GLU 16 1HB GLU 16 6.153 -16.275 -4.468 110 1HG GLU 16 2HG GLU 16 7.824 -13.893 -3.736 111 2HG GLU 16 1HG GLU 16 7.350 -15.179 -2.628 112 H PHE 17 H PHE 17 4.080 -14.160 -5.838 113 HA PHE 17 HA PHE 17 2.962 -16.453 -7.097 114 1HB PHE 17 2HB PHE 17 1.741 -13.820 -6.277 115 2HB PHE 17 1HB PHE 17 0.810 -15.128 -7.001 116 HD1 PHE 17 1HD PHE 17 1.321 -17.498 -5.824 117 HD2 PHE 17 2HD PHE 17 1.666 -13.676 -3.993 118 HE1 PHE 17 1HE PHE 17 1.037 -18.538 -3.613 119 HE2 PHE 17 2HE PHE 17 1.386 -14.706 -1.778 120 HZ PHE 17 HZ PHE 17 1.072 -17.142 -1.584 121 H LEU 18 H LEU 18 3.938 -13.309 -8.248 122 HA LEU 18 HA LEU 18 2.657 -13.269 -10.724 123 1HB LEU 18 2HB LEU 18 3.989 -11.400 -9.840 124 2HB LEU 18 1HB LEU 18 5.452 -12.342 -10.050 125 HG LEU 18 HG LEU 18 4.995 -12.372 -12.517 126 1HD1 LEU 18 1HD1 LEU 18 2.595 -11.952 -12.428 127 2HD1 LEU 18 2HD1 LEU 18 3.418 -10.744 -13.415 128 3HD1 LEU 18 3HD1 LEU 18 2.895 -10.340 -11.779 129 1HD2 LEU 18 1HD2 LEU 18 5.722 -10.060 -12.876 130 2HD2 LEU 18 2HD2 LEU 18 6.594 -10.821 -11.544 131 3HD2 LEU 18 3HD2 LEU 18 5.299 -9.671 -11.208 132 H SER 19 H SER 19 5.634 -14.879 -9.715 133 HA SER 19 HA SER 19 6.194 -15.944 -12.320 134 1HB SER 19 2HB SER 19 7.331 -16.760 -9.636 135 2HB SER 19 1HB SER 19 8.021 -17.118 -11.220 136 HG SER 19 HG SER 19 8.617 -15.084 -9.780 137 H LYS 20 H LYS 20 4.395 -16.942 -9.534 138 HA LYS 20 HA LYS 20 4.060 -19.681 -10.290 139 1HB LYS 20 2HB LYS 20 3.729 -18.956 -7.982 140 2HB LYS 20 1HB LYS 20 2.443 -17.872 -8.478 141 1HG LYS 20 2HG LYS 20 1.410 -19.742 -7.479 142 2HG LYS 20 1HG LYS 20 1.152 -19.899 -9.215 143 1HD LYS 20 2HD LYS 20 3.517 -21.242 -7.989 144 2HD LYS 20 1HD LYS 20 1.920 -21.953 -7.752 145 1HE LYS 20 2HE LYS 20 3.171 -21.300 -10.421 146 2HE LYS 20 1HE LYS 20 3.085 -22.905 -9.696 147 1HZ LYS 20 1HZ LYS 20 0.755 -22.948 -9.924 148 2HZ LYS 20 2HZ LYS 20 1.328 -22.338 -11.399 149 3HZ LYS 20 3HZ LYS 20 0.662 -21.287 -10.250 150 H GLY 21 H GLY 21 2.547 -16.655 -11.108 151 1HA GLY 21 2HA GLY 21 1.201 -16.305 -13.015 152 2HA GLY 21 1HA GLY 21 0.867 -18.032 -13.070 153 H ASP 22 H ASP 22 0.651 -16.760 -9.972 154 HA ASP 22 HA ASP 22 -2.275 -16.908 -10.084 155 1HB ASP 22 2HB ASP 22 -0.459 -18.015 -8.308 156 2HB ASP 22 1HB ASP 22 -1.061 -16.608 -7.434 157 H LEU 23 H LEU 23 -2.633 -14.865 -10.970 158 HA LEU 23 HA LEU 23 -1.265 -12.557 -10.016 159 1HB LEU 23 2HB LEU 23 -3.654 -12.796 -11.838 160 2HB LEU 23 1HB LEU 23 -2.766 -11.313 -11.537 161 HG LEU 23 HG LEU 23 -1.653 -13.801 -12.841 162 1HD1 LEU 23 1HD1 LEU 23 -3.225 -12.585 -14.262 163 2HD1 LEU 23 2HD1 LEU 23 -1.572 -12.439 -14.858 164 3HD1 LEU 23 3HD1 LEU 23 -2.318 -11.096 -13.995 165 1HD2 LEU 23 1HD2 LEU 23 0.028 -12.588 -11.525 166 2HD2 LEU 23 2HD2 LEU 23 -0.373 -11.105 -12.390 167 3HD2 LEU 23 3HD2 LEU 23 0.338 -12.468 -13.257 168 H VAL 24 H VAL 24 -4.343 -14.044 -9.235 169 HA VAL 24 HA VAL 24 -5.502 -11.744 -8.032 170 HB VAL 24 HB VAL 24 -6.070 -14.669 -7.497 171 1HG1 VAL 24 1HG1 VAL 24 -6.789 -13.221 -5.639 172 2HG1 VAL 24 2HG1 VAL 24 -8.158 -13.925 -6.498 173 3HG1 VAL 24 3HG1 VAL 24 -7.713 -12.240 -6.777 174 1HG2 VAL 24 1HG2 VAL 24 -8.008 -14.316 -8.950 175 2HG2 VAL 24 2HG2 VAL 24 -6.497 -14.005 -9.807 176 3HG2 VAL 24 3HG2 VAL 24 -7.486 -12.658 -9.244 177 H GLN 25 H GLN 25 -3.725 -14.514 -6.684 178 HA GLN 25 HA GLN 25 -3.756 -13.578 -4.018 179 1HB GLN 25 2HB GLN 25 -1.793 -15.435 -5.371 180 2HB GLN 25 1HB GLN 25 -1.941 -15.209 -3.633 181 1HG GLN 25 2HG GLN 25 -4.316 -15.997 -3.841 182 2HG GLN 25 1HG GLN 25 -3.945 -16.432 -5.509 183 1HE2 GLN 25 1HE2 GLN 25 -4.292 -18.635 -5.141 184 2HE2 GLN 25 2HE2 GLN 25 -3.187 -19.595 -4.209 185 H ALA 26 H ALA 26 -1.478 -13.220 -6.689 186 HA ALA 26 HA ALA 26 0.558 -11.853 -5.323 187 1HB ALA 26 1HB ALA 26 -0.257 -11.489 -8.206 188 2HB ALA 26 2HB ALA 26 0.806 -12.763 -7.608 189 3HB ALA 26 3HB ALA 26 1.300 -11.073 -7.491 190 H CYS 27 H CYS 27 -2.296 -10.648 -7.027 191 HA CYS 27 HA CYS 27 -1.809 -7.921 -6.789 192 1HB CYS 27 2HB CYS 27 -3.561 -8.907 -8.214 193 2HB CYS 27 1HB CYS 27 -4.481 -9.338 -6.778 194 HG CYS 27 HG CYS 27 -5.810 -7.193 -7.788 195 H GLU 28 H GLU 28 -3.594 -10.086 -4.593 196 HA GLU 28 HA GLU 28 -4.324 -8.057 -2.771 197 1HB GLU 28 2HB GLU 28 -4.021 -11.024 -2.281 198 2HB GLU 28 1HB GLU 28 -4.837 -9.894 -1.209 199 1HG GLU 28 2HG GLU 28 -6.324 -9.363 -3.233 200 2HG GLU 28 1HG GLU 28 -5.668 -10.847 -3.921 201 H LYS 29 H LYS 29 -1.453 -10.024 -3.089 202 HA LYS 29 HA LYS 29 -0.362 -9.598 -0.547 203 1HB LYS 29 2HB LYS 29 0.868 -10.235 -3.210 204 2HB LYS 29 1HB LYS 29 1.867 -9.974 -1.787 205 1HG LYS 29 2HG LYS 29 -0.325 -12.031 -1.989 206 2HG LYS 29 1HG LYS 29 1.396 -12.354 -2.221 207 1HD LYS 29 2HD LYS 29 1.843 -11.595 0.063 208 2HD LYS 29 1HD LYS 29 0.122 -11.279 0.295 209 1HE LYS 29 2HE LYS 29 -0.380 -13.631 0.012 210 2HE LYS 29 1HE LYS 29 1.311 -13.975 -0.347 211 1HZ LYS 29 1HZ LYS 29 1.909 -13.303 1.886 212 2HZ LYS 29 2HZ LYS 29 0.728 -14.523 1.950 213 3HZ LYS 29 3HZ LYS 29 0.295 -12.914 2.236 214 H TYR 30 H TYR 30 0.468 -7.833 -3.589 215 HA TYR 30 HA TYR 30 1.953 -5.930 -2.033 216 1HB TYR 30 2HB TYR 30 2.452 -4.778 -4.085 217 2HB TYR 30 1HB TYR 30 2.657 -6.504 -4.326 218 HD1 TYR 30 2HD TYR 30 0.610 -3.569 -5.171 219 HD2 TYR 30 1HD TYR 30 1.273 -7.706 -5.894 220 HE1 TYR 30 2HE TYR 30 -0.808 -3.444 -7.173 221 HE2 TYR 30 1HE TYR 30 -0.131 -7.585 -7.904 222 HH TYR 30 HH TYR 30 -2.008 -6.126 -8.753 223 H TYR 31 H TYR 31 -1.321 -6.225 -2.966 224 HA TYR 31 HA TYR 31 -2.131 -3.538 -2.709 225 1HB TYR 31 2HB TYR 31 -3.770 -5.024 -3.526 226 2HB TYR 31 1HB TYR 31 -3.508 -6.172 -2.219 227 HD1 TYR 31 2HD TYR 31 -4.918 -2.812 -2.980 228 HD2 TYR 31 1HD TYR 31 -4.796 -6.089 -0.267 229 HE1 TYR 31 2HE TYR 31 -6.787 -1.833 -1.712 230 HE2 TYR 31 1HE TYR 31 -6.658 -5.121 1.001 231 HH TYR 31 HH TYR 31 -7.595 -2.741 1.351 232 H LYS 32 H LYS 32 -1.918 -6.144 -0.293 233 HA LYS 32 HA LYS 32 -2.564 -4.426 1.876 234 1HB LYS 32 2HB LYS 32 -1.329 -7.183 1.840 235 2HB LYS 32 1HB LYS 32 -1.814 -6.338 3.306 236 1HG LYS 32 2HG LYS 32 -4.127 -6.192 2.328 237 2HG LYS 32 1HG LYS 32 -3.575 -7.289 1.064 238 1HD LYS 32 2HD LYS 32 -3.496 -7.881 4.019 239 2HD LYS 32 1HD LYS 32 -4.757 -8.431 2.915 240 1HE LYS 32 2HE LYS 32 -3.071 -9.649 1.618 241 2HE LYS 32 1HE LYS 32 -1.824 -9.112 2.746 242 1HZ LYS 32 1HZ LYS 32 -4.161 -10.827 3.395 243 2HZ LYS 32 2HZ LYS 32 -3.032 -10.262 4.525 244 3HZ LYS 32 3HZ LYS 32 -2.544 -11.329 3.299 245 H ALA 33 H ALA 33 0.421 -5.361 0.315 246 HA ALA 33 HA ALA 33 2.280 -4.402 2.171 247 1HB ALA 33 1HB ALA 33 2.907 -5.618 0.143 248 2HB ALA 33 2HB ALA 33 3.785 -4.094 0.272 249 3HB ALA 33 3HB ALA 33 2.424 -4.239 -0.844 250 H ALA 34 H ALA 34 0.196 -2.733 -0.094 251 HA ALA 34 HA ALA 34 1.454 -0.182 0.172 252 1HB ALA 34 1HB ALA 34 0.204 -0.766 -1.834 253 2HB ALA 34 2HB ALA 34 -0.471 0.671 -1.066 254 3HB ALA 34 3HB ALA 34 -1.279 -0.887 -0.888 255 H GLU 35 H GLU 35 -1.514 -1.636 1.557 256 HA GLU 35 HA GLU 35 -2.236 0.741 2.938 257 1HB GLU 35 2HB GLU 35 -3.860 -0.654 4.153 258 2HB GLU 35 1HB GLU 35 -3.933 -0.883 2.416 259 1HG GLU 35 2HG GLU 35 -2.778 -2.982 2.591 260 2HG GLU 35 1HG GLU 35 -2.546 -2.741 4.324 261 H GLU 36 H GLU 36 -0.396 -2.117 3.846 262 HA GLU 36 HA GLU 36 0.030 -1.446 6.544 263 1HB GLU 36 2HB GLU 36 1.467 -3.139 4.552 264 2HB GLU 36 1HB GLU 36 2.282 -2.746 6.060 265 1HG GLU 36 2HG GLU 36 -0.484 -3.894 6.031 266 2HG GLU 36 1HG GLU 36 0.944 -4.921 5.933 267 H ALA 37 H ALA 37 1.718 -0.486 3.588 268 HA ALA 37 HA ALA 37 3.751 1.028 4.862 269 1HB ALA 37 1HB ALA 37 4.076 2.063 2.672 270 2HB ALA 37 2HB ALA 37 2.555 1.371 2.110 271 3HB ALA 37 3HB ALA 37 3.903 0.314 2.528 272 H ILE 38 H ILE 38 0.528 1.894 3.617 273 HA ILE 38 HA ILE 38 0.527 4.611 4.230 274 HB ILE 38 HB ILE 38 -1.750 2.625 4.393 275 1HG1 ILE 38 2HG1 ILE 38 -0.787 2.908 2.156 276 2HG1 ILE 38 1HG1 ILE 38 -2.409 3.587 2.231 277 1HG2 ILE 38 1HG2 ILE 38 -2.247 4.557 5.800 278 2HG2 ILE 38 2HG2 ILE 38 -3.271 4.531 4.365 279 3HG2 ILE 38 3HG2 ILE 38 -1.901 5.639 4.450 280 1HD1 ILE 38 1HD1 ILE 38 -0.893 5.010 0.966 281 2HD1 ILE 38 2HD1 ILE 38 0.156 5.150 2.377 282 3HD1 ILE 38 3HD1 ILE 38 -1.471 5.825 2.420 283 H LYS 39 H LYS 39 -0.242 1.836 6.278 284 HA LYS 39 HA LYS 39 -0.887 3.099 8.663 285 1HB LYS 39 2HB LYS 39 -1.020 0.652 8.136 286 2HB LYS 39 1HB LYS 39 0.719 0.550 8.322 287 1HG LYS 39 2HG LYS 39 -0.977 1.559 10.566 288 2HG LYS 39 1HG LYS 39 -0.834 -0.170 10.258 289 1HD LYS 39 2HD LYS 39 1.448 1.734 10.797 290 2HD LYS 39 1HD LYS 39 0.777 0.568 11.938 291 1HE LYS 39 2HE LYS 39 2.138 -0.078 9.324 292 2HE LYS 39 1HE LYS 39 2.837 -0.264 10.931 293 1HZ LYS 39 1HZ LYS 39 0.589 -1.796 9.739 294 2HZ LYS 39 2HZ LYS 39 0.947 -1.829 11.395 295 3HZ LYS 39 3HZ LYS 39 2.086 -2.382 10.276 296 H LEU 40 H LEU 40 2.334 2.182 7.437 297 HA LEU 40 HA LEU 40 3.865 3.185 9.543 298 1HB LEU 40 2HB LEU 40 4.332 2.494 6.710 299 2HB LEU 40 1HB LEU 40 5.521 3.534 7.450 300 HG LEU 40 HG LEU 40 5.606 1.745 9.296 301 1HD1 LEU 40 1HD1 LEU 40 3.652 0.485 8.631 302 2HD1 LEU 40 2HD1 LEU 40 5.099 -0.521 8.550 303 3HD1 LEU 40 3HD1 LEU 40 4.394 0.133 7.070 304 1HD2 LEU 40 1HD2 LEU 40 6.688 1.212 6.540 305 2HD2 LEU 40 2HD2 LEU 40 7.275 0.469 8.028 306 3HD2 LEU 40 3HD2 LEU 40 7.439 2.207 7.786 307 H LEU 41 H LEU 41 2.774 4.794 6.562 308 HA LEU 41 HA LEU 41 4.172 7.203 6.995 309 1HB LEU 41 2HB LEU 41 1.899 6.385 5.266 310 2HB LEU 41 1HB LEU 41 2.204 8.096 5.474 311 HG LEU 41 HG LEU 41 4.536 7.730 4.647 312 1HD1 LEU 41 1HD1 LEU 41 5.064 5.673 3.470 313 2HD1 LEU 41 2HD1 LEU 41 3.530 4.972 3.988 314 3HD1 LEU 41 3HD1 LEU 41 4.767 5.371 5.181 315 1HD2 LEU 41 1HD2 LEU 41 2.316 6.887 2.788 316 2HD2 LEU 41 2HD2 LEU 41 3.901 7.486 2.297 317 3HD2 LEU 41 3HD2 LEU 41 2.788 8.545 3.164 318 H VAL 42 H VAL 42 0.985 6.130 8.040 319 HA VAL 42 HA VAL 42 0.052 8.606 9.015 320 HB VAL 42 HB VAL 42 -0.575 5.827 10.041 321 1HG1 VAL 42 1HG1 VAL 42 -2.613 6.819 10.963 322 2HG1 VAL 42 2HG1 VAL 42 -2.072 8.416 10.447 323 3HG1 VAL 42 3HG1 VAL 42 -1.170 7.535 11.680 324 1HG2 VAL 42 1HG2 VAL 42 -2.589 6.008 8.646 325 2HG2 VAL 42 2HG2 VAL 42 -1.113 6.082 7.684 326 3HG2 VAL 42 3HG2 VAL 42 -2.014 7.558 8.031 327 H ILE 43 H ILE 43 2.171 6.179 10.377 328 HA ILE 43 HA ILE 43 2.170 7.247 13.024 329 HB ILE 43 HB ILE 43 4.155 5.377 11.720 330 1HG1 ILE 43 2HG1 ILE 43 1.756 4.805 13.480 331 2HG1 ILE 43 1HG1 ILE 43 1.852 4.495 11.753 332 1HG2 ILE 43 1HG2 ILE 43 4.772 4.765 14.013 333 2HG2 ILE 43 2HG2 ILE 43 3.676 5.999 14.633 334 3HG2 ILE 43 3HG2 ILE 43 5.089 6.469 13.688 335 1HD1 ILE 43 1HD1 ILE 43 3.507 3.172 13.886 336 2HD1 ILE 43 2HD1 ILE 43 3.651 2.875 12.154 337 3HD1 ILE 43 3HD1 ILE 43 2.162 2.454 13.001 338 H GLU 44 H GLU 44 4.466 7.464 10.287 339 HA GLU 44 HA GLU 44 6.430 8.876 11.727 340 1HB GLU 44 2HB GLU 44 7.404 9.458 9.543 341 2HB GLU 44 1HB GLU 44 7.022 7.748 9.681 342 1HG GLU 44 2HG GLU 44 5.389 7.841 8.109 343 2HG GLU 44 1HG GLU 44 4.983 9.520 8.461 344 H ASN 45 H ASN 45 3.716 10.017 9.767 345 HA ASN 45 HA ASN 45 4.482 12.780 10.129 346 1HB ASN 45 2HB ASN 45 2.034 11.509 8.892 347 2HB ASN 45 1HB ASN 45 2.295 13.246 8.981 348 1HD2 ASN 45 1HD2 ASN 45 3.223 10.282 7.467 349 2HD2 ASN 45 2HD2 ASN 45 4.229 10.974 6.238 350 H ASN 46 H ASN 46 2.903 10.461 11.917 351 HA ASN 46 HA ASN 46 1.561 10.411 13.727 352 1HB ASN 46 2HB ASN 46 3.483 11.704 14.644 353 2HB ASN 46 1HB ASN 46 2.641 13.193 14.228 354 1HD2 ASN 46 1HD2 ASN 46 0.951 13.881 15.480 355 2HD2 ASN 46 2HD2 ASN 46 0.559 13.169 17.006 356 H LEU 47 H LEU 47 -0.174 10.489 12.080 357 HA LEU 47 HA LEU 47 -1.733 12.928 12.015 358 1HB LEU 47 2HB LEU 47 -2.358 10.166 10.975 359 2HB LEU 47 1HB LEU 47 -3.314 11.600 10.676 360 HG LEU 47 HG LEU 47 -0.485 11.158 9.726 361 1HD1 LEU 47 1HD1 LEU 47 -3.089 11.170 8.209 362 2HD1 LEU 47 2HD1 LEU 47 -2.122 9.744 8.586 363 3HD1 LEU 47 3HD1 LEU 47 -1.478 10.988 7.514 364 1HD2 LEU 47 1HD2 LEU 47 -0.848 13.201 8.422 365 2HD2 LEU 47 2HD2 LEU 47 -0.938 13.509 10.156 366 3HD2 LEU 47 3HD2 LEU 47 -2.417 13.414 9.199 367 H LYS 48 H LYS 48 -2.212 13.230 14.184 368 HA LYS 48 HA LYS 48 -3.152 11.134 15.862 369 1HB LYS 48 2HB LYS 48 -1.935 13.281 16.544 370 2HB LYS 48 1HB LYS 48 -3.495 14.077 16.397 371 1HG LYS 48 2HG LYS 48 -4.430 12.632 18.100 372 2HG LYS 48 1HG LYS 48 -2.901 11.752 18.215 373 1HD LYS 48 2HD LYS 48 -1.794 13.882 18.852 374 2HD LYS 48 1HD LYS 48 -3.380 14.653 18.877 375 1HE LYS 48 2HE LYS 48 -4.089 12.969 20.572 376 2HE LYS 48 1HE LYS 48 -2.421 12.394 20.620 377 1HZ LYS 48 1HZ LYS 48 -1.717 14.591 21.329 378 2HZ LYS 48 2HZ LYS 48 -2.875 13.965 22.397 379 3HZ LYS 48 3HZ LYS 48 -3.317 15.150 21.268 380 H GLU 49 H GLU 49 -4.668 13.452 13.787 381 HA GLU 49 HA GLU 49 -7.308 13.149 14.783 382 1HB GLU 49 2HB GLU 49 -6.250 14.112 12.135 383 2HB GLU 49 1HB GLU 49 -7.942 14.176 12.593 384 1HG GLU 49 2HG GLU 49 -5.652 15.611 13.910 385 2HG GLU 49 1HG GLU 49 -6.948 16.324 12.951 386 H ILE 50 H ILE 50 -5.275 11.167 12.951 387 HA ILE 50 HA ILE 50 -7.509 9.640 11.809 388 HB ILE 50 HB ILE 50 -4.524 9.448 11.340 389 1HG1 ILE 50 2HG1 ILE 50 -5.567 11.413 10.326 390 2HG1 ILE 50 1HG1 ILE 50 -5.072 10.267 9.089 391 1HG2 ILE 50 1HG2 ILE 50 -6.754 7.871 10.073 392 2HG2 ILE 50 2HG2 ILE 50 -5.515 7.245 11.161 393 3HG2 ILE 50 3HG2 ILE 50 -5.065 7.846 9.565 394 1HD1 ILE 50 1HD1 ILE 50 -7.233 11.203 8.550 395 2HD1 ILE 50 2HD1 ILE 50 -7.872 10.682 10.108 396 3HD1 ILE 50 3HD1 ILE 50 -7.393 9.482 8.909 397 H THR 51 H THR 51 -4.846 9.426 14.115 398 HA THR 51 HA THR 51 -5.061 6.654 14.633 399 HB THR 51 HB THR 51 -3.888 7.257 16.809 400 HG1 THR 51 1HG THR 51 -3.124 9.407 16.935 401 1HG2 THR 51 1HG2 THR 51 -1.778 7.824 15.679 402 2HG2 THR 51 2HG2 THR 51 -2.675 8.199 14.208 403 3HG2 THR 51 3HG2 THR 51 -2.652 6.549 14.831 404 H ASN 52 H ASN 52 -6.457 9.502 16.276 405 HA ASN 52 HA ASN 52 -7.896 7.962 18.196 406 1HB ASN 52 2HB ASN 52 -8.843 9.958 18.944 407 2HB ASN 52 1HB ASN 52 -7.325 10.510 18.247 408 1HD2 ASN 52 1HD2 ASN 52 -7.355 11.749 16.386 409 2HD2 ASN 52 2HD2 ASN 52 -8.816 12.436 15.756 410 H ASN 53 H ASN 53 -8.355 8.633 14.906 411 HA ASN 53 HA ASN 53 -11.184 8.316 14.769 412 1HB ASN 53 2HB ASN 53 -9.847 9.453 13.018 413 2HB ASN 53 1HB ASN 53 -9.081 7.918 12.627 414 1HD2 ASN 53 1HD2 ASN 53 -11.937 9.837 12.382 415 2HD2 ASN 53 2HD2 ASN 53 -12.746 8.843 11.229 416 H VAL 54 H VAL 54 -8.463 6.166 14.949 417 HA VAL 54 HA VAL 54 -10.087 3.839 14.216 418 HB VAL 54 HB VAL 54 -7.214 3.765 15.128 419 1HG1 VAL 54 1HG1 VAL 54 -8.393 1.628 14.993 420 2HG1 VAL 54 2HG1 VAL 54 -7.111 1.733 13.786 421 3HG1 VAL 54 3HG1 VAL 54 -8.793 1.954 13.306 422 1HG2 VAL 54 1HG2 VAL 54 -6.530 3.885 12.775 423 2HG2 VAL 54 2HG2 VAL 54 -7.292 5.378 13.324 424 3HG2 VAL 54 3HG2 VAL 54 -8.195 4.244 12.320 425 H LYS 55 H LYS 55 -9.788 5.661 16.847 426 HA LYS 55 HA LYS 55 -9.001 3.831 18.877 427 1HB LYS 55 2HB LYS 55 -9.121 6.483 18.801 428 2HB LYS 55 1HB LYS 55 -10.700 6.196 19.510 429 1HG LYS 55 2HG LYS 55 -9.018 6.614 21.217 430 2HG LYS 55 1HG LYS 55 -9.678 4.982 21.350 431 1HD LYS 55 2HD LYS 55 -7.740 4.044 20.307 432 2HD LYS 55 1HD LYS 55 -7.106 5.647 19.929 433 1HE LYS 55 2HE LYS 55 -7.572 4.616 22.724 434 2HE LYS 55 1HE LYS 55 -6.021 4.551 21.886 435 1HZ LYS 55 1HZ LYS 55 -7.537 7.004 22.619 436 2HZ LYS 55 2HZ LYS 55 -6.117 6.991 21.692 437 3HZ LYS 55 3HZ LYS 55 -6.082 6.462 23.302 438 H ASN 56 H ASN 56 -11.880 4.211 17.140 439 HA ASN 56 HA ASN 56 -13.598 3.176 19.225 440 1HB ASN 56 2HB ASN 56 -13.954 4.245 16.478 441 2HB ASN 56 1HB ASN 56 -15.139 3.083 17.040 442 1HD2 ASN 56 1HD2 ASN 56 -13.861 6.264 17.395 443 2HD2 ASN 56 2HD2 ASN 56 -15.084 6.867 18.458 444 H LYS 57 H LYS 57 -12.054 2.078 16.267 445 HA LYS 57 HA LYS 57 -13.276 -0.518 16.355 446 1HB LYS 57 2HB LYS 57 -11.171 0.773 14.631 447 2HB LYS 57 1HB LYS 57 -11.614 -0.904 14.470 448 1HG LYS 57 2HG LYS 57 -13.552 1.370 14.184 449 2HG LYS 57 1HG LYS 57 -12.699 0.624 12.835 450 1HD LYS 57 2HD LYS 57 -14.713 -0.494 12.788 451 2HD LYS 57 1HD LYS 57 -13.730 -1.584 13.767 452 1HE LYS 57 2HE LYS 57 -14.675 -0.552 15.803 453 2HE LYS 57 1HE LYS 57 -15.703 0.459 14.787 454 1HZ LYS 57 1HZ LYS 57 -15.763 -2.503 14.992 455 2HZ LYS 57 2HZ LYS 57 -16.667 -1.611 13.869 456 3HZ LYS 57 3HZ LYS 57 -16.953 -1.420 15.533 457 H GLY 58 H GLY 58 -11.536 -2.377 15.916 458 1HA GLY 58 2HA GLY 58 -9.689 -2.286 18.207 459 2HA GLY 58 1HA GLY 58 -10.292 -3.747 17.436 460 H ARG 59 H ARG 59 -9.784 -2.436 14.765 461 HA ARG 59 HA ARG 59 -6.882 -2.317 14.699 462 1HB ARG 59 2HB ARG 59 -7.886 -4.745 14.333 463 2HB ARG 59 1HB ARG 59 -8.202 -4.130 12.716 464 1HG ARG 59 2HG ARG 59 -5.848 -3.654 12.404 465 2HG ARG 59 1HG ARG 59 -5.502 -4.171 14.052 466 1HD ARG 59 2HD ARG 59 -6.438 -6.428 13.410 467 2HD ARG 59 1HD ARG 59 -6.443 -5.855 11.741 468 HE ARG 59 HE ARG 59 -3.896 -5.452 12.918 469 1HH1 ARG 59 1HH1 ARG 59 -5.930 -7.930 11.493 470 2HH1 ARG 59 2HH1 ARG 59 -4.603 -9.009 11.167 471 1HH2 ARG 59 1HH2 ARG 59 -2.150 -6.850 12.471 472 2HH2 ARG 59 2HH2 ARG 59 -2.446 -8.379 11.694 473 H TRP 60 H TRP 60 -6.246 -1.922 12.280 474 HA TRP 60 HA TRP 60 -7.420 0.509 11.518 475 1HB TRP 60 2HB TRP 60 -5.544 -1.330 10.024 476 2HB TRP 60 1HB TRP 60 -5.987 0.283 9.473 477 HD1 TRP 60 HD TRP 60 -4.122 -1.431 12.398 478 HE1 TRP 60 1HE TRP 60 -2.428 0.254 13.369 479 HE3 TRP 60 3HE TRP 60 -5.395 2.673 9.619 480 HZ2 TRP 60 2HZ TRP 60 -1.727 2.971 12.984 481 HZ3 TRP 60 3HZ TRP 60 -4.162 4.769 9.978 482 HH2 TRP 60 HH TRP 60 -2.366 4.911 11.624 483 H LYS 61 H LYS 61 -8.999 1.016 10.150 484 HA LYS 61 HA LYS 61 -10.337 -1.179 8.729 485 1HB LYS 61 2HB LYS 61 -11.526 0.224 10.560 486 2HB LYS 61 1HB LYS 61 -11.564 1.497 9.350 487 1HG LYS 61 2HG LYS 61 -12.800 -0.012 7.843 488 2HG LYS 61 1HG LYS 61 -12.827 -1.226 9.125 489 1HD LYS 61 2HD LYS 61 -14.042 0.325 10.573 490 2HD LYS 61 1HD LYS 61 -14.004 1.548 9.301 491 1HE LYS 61 2HE LYS 61 -15.203 -0.174 7.849 492 2HE LYS 61 1HE LYS 61 -15.486 -1.066 9.345 493 1HZ LYS 61 1HZ LYS 61 -16.515 1.020 10.226 494 2HZ LYS 61 2HZ LYS 61 -17.377 0.283 8.966 495 3HZ LYS 61 3HZ LYS 61 -16.430 1.662 8.659 496 H SER 62 H SER 62 -11.081 -0.781 6.574 497 HA SER 62 HA SER 62 -9.143 0.418 4.966 498 1HB SER 62 2HB SER 62 -11.956 -0.336 4.189 499 2HB SER 62 1HB SER 62 -10.594 -0.120 3.090 500 HG SER 62 HG SER 62 -9.587 -1.900 4.027 501 H GLU 63 H GLU 63 -12.318 1.644 5.979 502 HA GLU 63 HA GLU 63 -12.416 3.927 4.383 503 1HB GLU 63 2HB GLU 63 -13.923 4.851 6.115 504 2HB GLU 63 1HB GLU 63 -14.336 3.202 5.679 505 1HG GLU 63 2HG GLU 63 -13.279 2.375 7.691 506 2HG GLU 63 1HG GLU 63 -12.766 4.007 8.116 507 H ASN 64 H ASN 64 -10.753 3.343 7.416 508 HA ASN 64 HA ASN 64 -10.064 6.051 7.940 509 1HB ASN 64 2HB ASN 64 -10.110 4.411 9.733 510 2HB ASN 64 1HB ASN 64 -8.866 3.454 8.934 511 1HD2 ASN 64 1HD2 ASN 64 -9.545 6.343 10.746 512 2HD2 ASN 64 2HD2 ASN 64 -7.899 6.705 11.143 513 H LEU 65 H LEU 65 -8.578 3.424 6.185 514 HA LEU 65 HA LEU 65 -6.001 4.518 5.878 515 1HB LEU 65 2HB LEU 65 -7.523 2.624 4.085 516 2HB LEU 65 1HB LEU 65 -5.801 2.938 3.986 517 HG LEU 65 HG LEU 65 -7.178 1.721 6.384 518 1HD1 LEU 65 1HD1 LEU 65 -7.284 0.241 4.446 519 2HD1 LEU 65 2HD1 LEU 65 -6.171 -0.379 5.666 520 3HD1 LEU 65 3HD1 LEU 65 -5.543 0.410 4.219 521 1HD2 LEU 65 1HD2 LEU 65 -4.898 1.190 7.094 522 2HD2 LEU 65 2HD2 LEU 65 -5.132 2.930 6.928 523 3HD2 LEU 65 3HD2 LEU 65 -4.262 2.034 5.683 524 H PHE 66 H PHE 66 -8.969 4.838 3.990 525 HA PHE 66 HA PHE 66 -7.776 6.373 1.899 526 1HB PHE 66 2HB PHE 66 -9.898 5.111 1.611 527 2HB PHE 66 1HB PHE 66 -10.689 6.221 2.724 528 HD1 PHE 66 2HD PHE 66 -9.145 5.888 -0.599 529 HD2 PHE 66 1HD PHE 66 -11.396 8.381 2.016 530 HE1 PHE 66 2HE PHE 66 -9.677 7.378 -2.482 531 HE2 PHE 66 1HE PHE 66 -11.935 9.871 0.135 532 HZ PHE 66 HZ PHE 66 -11.073 9.371 -2.117 533 H LYS 67 H LYS 67 -9.493 7.112 4.874 534 HA LYS 67 HA LYS 67 -9.751 9.884 4.596 535 1HB LYS 67 2HB LYS 67 -10.405 8.005 6.491 536 2HB LYS 67 1HB LYS 67 -9.154 8.922 7.310 537 1HG LYS 67 2HG LYS 67 -11.540 10.219 6.029 538 2HG LYS 67 1HG LYS 67 -11.528 9.666 7.703 539 1HD LYS 67 2HD LYS 67 -9.557 11.131 8.108 540 2HD LYS 67 1HD LYS 67 -9.733 11.750 6.464 541 1HE LYS 67 2HE LYS 67 -11.923 12.609 6.969 542 2HE LYS 67 1HE LYS 67 -11.890 11.866 8.566 543 1HZ LYS 67 1HZ LYS 67 -11.397 14.153 8.820 544 2HZ LYS 67 2HZ LYS 67 -10.227 14.125 7.595 545 3HZ LYS 67 3HZ LYS 67 -9.944 13.315 9.062 546 H ALA 68 H ALA 68 -7.148 7.918 5.963 547 HA ALA 68 HA ALA 68 -5.491 10.066 6.763 548 1HB ALA 68 1HB ALA 68 -4.748 7.227 6.077 549 2HB ALA 68 2HB ALA 68 -5.235 7.822 7.665 550 3HB ALA 68 3HB ALA 68 -3.727 8.379 6.940 551 H SER 69 H SER 69 -5.425 8.002 3.859 552 HA SER 69 HA SER 69 -3.162 9.145 2.671 553 1HB SER 69 2HB SER 69 -5.533 7.858 1.295 554 2HB SER 69 1HB SER 69 -3.918 8.071 0.612 555 HG SER 69 HG SER 69 -4.788 6.335 2.644 556 H LYS 70 H LYS 70 -6.510 10.114 2.656 557 HA LYS 70 HA LYS 70 -6.517 11.965 0.562 558 1HB LYS 70 2HB LYS 70 -8.420 11.030 2.089 559 2HB LYS 70 1HB LYS 70 -8.026 12.382 3.129 560 1HG LYS 70 2HG LYS 70 -8.726 12.751 0.234 561 2HG LYS 70 1HG LYS 70 -9.945 12.692 1.508 562 1HD LYS 70 2HD LYS 70 -8.786 14.572 2.636 563 2HD LYS 70 1HD LYS 70 -7.672 14.663 1.270 564 1HE LYS 70 2HE LYS 70 -9.537 15.126 -0.230 565 2HE LYS 70 1HE LYS 70 -10.664 15.006 1.120 566 1HZ LYS 70 1HZ LYS 70 -10.160 17.299 0.625 567 2HZ LYS 70 2HZ LYS 70 -8.500 17.015 0.825 568 3HZ LYS 70 3HZ LYS 70 -9.544 16.895 2.155 569 H LEU 71 H LEU 71 -5.903 12.407 4.016 570 HA LEU 71 HA LEU 71 -5.302 15.167 3.884 571 1HB LEU 71 2HB LEU 71 -4.487 13.114 5.941 572 2HB LEU 71 1HB LEU 71 -4.362 14.850 6.144 573 HG LEU 71 HG LEU 71 -6.935 13.305 5.805 574 1HD1 LEU 71 1HD1 LEU 71 -5.722 14.631 8.225 575 2HD1 LEU 71 2HD1 LEU 71 -5.912 12.897 7.964 576 3HD1 LEU 71 3HD1 LEU 71 -7.335 13.925 8.144 577 1HD2 LEU 71 1HD2 LEU 71 -6.456 16.234 6.341 578 2HD2 LEU 71 2HD2 LEU 71 -8.025 15.430 6.345 579 3HD2 LEU 71 3HD2 LEU 71 -7.093 15.536 4.852 580 H LEU 72 H LEU 72 -3.360 12.293 3.480 581 HA LEU 72 HA LEU 72 -0.825 13.449 3.926 582 1HB LEU 72 2HB LEU 72 -1.664 10.991 2.413 583 2HB LEU 72 1HB LEU 72 0.013 11.445 2.645 584 HG LEU 72 HG LEU 72 -1.946 10.844 4.864 585 1HD1 LEU 72 1HD1 LEU 72 -0.625 8.810 5.190 586 2HD1 LEU 72 2HD1 LEU 72 0.340 9.208 3.768 587 3HD1 LEU 72 3HD1 LEU 72 -1.378 8.843 3.596 588 1HD2 LEU 72 1HD2 LEU 72 1.021 11.387 4.932 589 2HD2 LEU 72 2HD2 LEU 72 0.030 10.906 6.308 590 3HD2 LEU 72 3HD2 LEU 72 -0.246 12.461 5.526 591 H ARG 73 H ARG 73 -2.934 14.056 1.404 592 HA ARG 73 HA ARG 73 -1.226 14.299 -0.812 593 1HB ARG 73 2HB ARG 73 -3.656 14.490 -1.003 594 2HB ARG 73 1HB ARG 73 -3.633 15.978 -0.064 595 1HG ARG 73 2HG ARG 73 -2.245 17.002 -1.865 596 2HG ARG 73 1HG ARG 73 -2.489 15.533 -2.814 597 1HD ARG 73 2HD ARG 73 -4.926 15.896 -2.692 598 2HD ARG 73 1HD ARG 73 -4.642 17.396 -1.810 599 HE ARG 73 HE ARG 73 -3.739 16.934 -4.584 600 1HH1 ARG 73 1HH1 ARG 73 -5.044 19.023 -2.090 601 2HH1 ARG 73 2HH1 ARG 73 -5.164 20.400 -3.134 602 1HH2 ARG 73 1HH2 ARG 73 -3.917 18.738 -5.964 603 2HH2 ARG 73 2HH2 ARG 73 -4.537 20.240 -5.334 604 H SER 74 H SER 74 -1.569 16.212 2.050 605 HA SER 74 HA SER 74 -0.305 18.575 1.070 606 1HB SER 74 2HB SER 74 -0.101 19.110 3.538 607 2HB SER 74 1HB SER 74 -1.740 18.779 2.980 608 HG SER 74 HG SER 74 -1.744 16.894 4.034 609 H ASN 75 H ASN 75 0.812 15.553 2.361 610 HA ASN 75 HA ASN 75 3.507 16.478 2.845 611 1HB ASN 75 2HB ASN 75 2.415 14.540 4.086 612 2HB ASN 75 1HB ASN 75 2.568 13.608 2.603 613 1HD2 ASN 75 1HD2 ASN 75 3.947 12.111 3.511 614 2HD2 ASN 75 2HD2 ASN 75 5.584 12.477 3.933 615 H ASN 76 H ASN 76 1.851 14.420 0.495 616 HA ASN 76 HA ASN 76 3.439 15.436 -1.656 617 1HB ASN 76 2HB ASN 76 4.976 13.705 -0.777 618 2HB ASN 76 1HB ASN 76 3.705 12.502 -0.960 619 1HD2 ASN 76 1HD2 ASN 76 6.132 14.357 -2.557 620 2HD2 ASN 76 2HD2 ASN 76 5.951 13.621 -4.114 621 H THR 77 H THR 77 2.422 15.113 -3.620 622 HA THR 77 HA THR 77 -0.389 14.772 -3.367 623 HB THR 77 HB THR 77 1.101 15.042 -5.962 624 HG1 THR 77 1HG THR 77 0.284 17.330 -4.577 625 1HG2 THR 77 1HG2 THR 77 -0.871 16.328 -6.623 626 2HG2 THR 77 2HG2 THR 77 -1.568 16.098 -5.018 627 3HG2 THR 77 3HG2 THR 77 -1.328 14.713 -6.083 628 H GLU 78 H GLU 78 2.151 12.595 -4.264 629 HA GLU 78 HA GLU 78 0.627 11.058 -6.106 630 1HB GLU 78 2HB GLU 78 3.247 10.554 -4.721 631 2HB GLU 78 1HB GLU 78 2.538 9.437 -5.873 632 1HG GLU 78 2HG GLU 78 2.576 11.192 -7.583 633 2HG GLU 78 1HG GLU 78 3.314 12.291 -6.423 634 H ILE 79 H ILE 79 1.085 10.920 -2.630 635 HA ILE 79 HA ILE 79 0.551 8.247 -2.144 636 HB ILE 79 HB ILE 79 -0.046 10.666 -0.464 637 1HG1 ILE 79 2HG1 ILE 79 1.662 9.469 1.017 638 2HG1 ILE 79 1HG1 ILE 79 1.969 8.429 -0.368 639 1HG2 ILE 79 1HG2 ILE 79 -0.619 9.177 1.397 640 2HG2 ILE 79 2HG2 ILE 79 -0.562 7.797 0.301 641 3HG2 ILE 79 3HG2 ILE 79 -1.779 9.053 0.076 642 1HD1 ILE 79 1HD1 ILE 79 2.322 11.410 -0.270 643 2HD1 ILE 79 2HD1 ILE 79 2.613 10.386 -1.677 644 3HD1 ILE 79 3HD1 ILE 79 3.605 10.200 -0.230 645 HA PRO 80 HA PRO 80 -4.258 9.202 -1.940 646 1HB PRO 80 2HB PRO 80 -4.351 11.525 -3.789 647 2HB PRO 80 1HB PRO 80 -5.299 11.203 -2.333 648 1HG PRO 80 2HG PRO 80 -3.353 13.016 -2.317 649 2HG PRO 80 1HG PRO 80 -3.638 11.963 -0.918 650 1HD PRO 80 2HD PRO 80 -1.514 11.800 -3.017 651 2HD PRO 80 1HD PRO 80 -1.409 11.488 -1.273 652 H ILE 81 H ILE 81 -2.216 9.774 -4.724 653 HA ILE 81 HA ILE 81 -4.069 8.694 -6.645 654 HB ILE 81 HB ILE 81 -1.094 9.163 -6.943 655 1HG1 ILE 81 2HG1 ILE 81 -3.392 10.967 -7.728 656 2HG1 ILE 81 1HG1 ILE 81 -2.379 11.211 -6.314 657 1HG2 ILE 81 1HG2 ILE 81 -3.267 8.833 -9.012 658 2HG2 ILE 81 2HG2 ILE 81 -2.025 7.647 -8.614 659 3HG2 ILE 81 3HG2 ILE 81 -1.570 9.187 -9.344 660 1HD1 ILE 81 1HD1 ILE 81 -1.484 11.275 -9.182 661 2HD1 ILE 81 2HD1 ILE 81 -0.426 11.451 -7.782 662 3HD1 ILE 81 3HD1 ILE 81 -1.672 12.658 -8.104 663 H LEU 82 H LEU 82 -1.109 7.591 -5.039 664 HA LEU 82 HA LEU 82 -0.887 5.073 -6.231 665 1HB LEU 82 2HB LEU 82 -0.193 5.682 -3.359 666 2HB LEU 82 1HB LEU 82 0.548 4.487 -4.409 667 HG LEU 82 HG LEU 82 0.787 7.481 -4.711 668 1HD1 LEU 82 1HD1 LEU 82 3.112 7.144 -4.059 669 2HD1 LEU 82 2HD1 LEU 82 2.792 5.432 -3.789 670 3HD1 LEU 82 3HD1 LEU 82 2.004 6.645 -2.780 671 1HD2 LEU 82 1HD2 LEU 82 0.861 6.310 -6.858 672 2HD2 LEU 82 2HD2 LEU 82 2.140 5.265 -6.238 673 3HD2 LEU 82 3HD2 LEU 82 2.430 6.994 -6.430 674 H TRP 83 H TRP 83 -2.649 6.136 -3.355 675 HA TRP 83 HA TRP 83 -3.633 3.590 -2.620 676 1HB TRP 83 2HB TRP 83 -3.575 5.591 -1.120 677 2HB TRP 83 1HB TRP 83 -4.891 6.287 -2.061 678 HD1 TRP 83 HD TRP 83 -7.187 5.903 -1.019 679 HE1 TRP 83 1HE TRP 83 -8.239 4.145 0.540 680 HE3 TRP 83 3HE TRP 83 -3.185 2.760 -0.515 681 HZ2 TRP 83 2HZ TRP 83 -7.476 1.740 1.805 682 HZ3 TRP 83 3HZ TRP 83 -3.433 0.752 0.878 683 HH2 TRP 83 HH TRP 83 -5.534 0.256 2.014 684 H LYS 84 H LYS 84 -4.808 6.094 -4.788 685 HA LYS 84 HA LYS 84 -7.369 5.014 -5.286 686 1HB LYS 84 2HB LYS 84 -6.675 7.322 -5.886 687 2HB LYS 84 1HB LYS 84 -5.633 6.662 -7.133 688 1HG LYS 84 2HG LYS 84 -7.558 5.772 -8.313 689 2HG LYS 84 1HG LYS 84 -8.629 6.355 -7.038 690 1HD LYS 84 2HD LYS 84 -7.968 8.659 -7.533 691 2HD LYS 84 1HD LYS 84 -6.883 8.080 -8.798 692 1HE LYS 84 2HE LYS 84 -9.873 7.676 -8.751 693 2HE LYS 84 1HE LYS 84 -9.030 8.909 -9.687 694 1HZ LYS 84 1HZ LYS 84 -9.538 7.027 -11.069 695 2HZ LYS 84 2HZ LYS 84 -8.756 5.968 -10.007 696 3HZ LYS 84 3HZ LYS 84 -7.858 7.124 -10.862 697 H SER 85 H SER 85 -4.226 4.548 -6.792 698 HA SER 85 HA SER 85 -4.979 2.855 -8.882 699 1HB SER 85 2HB SER 85 -2.411 2.794 -7.277 700 2HB SER 85 1HB SER 85 -2.644 2.125 -8.892 701 HG SER 85 HG SER 85 -1.726 4.421 -8.498 702 H ALA 86 H ALA 86 -4.011 2.040 -5.545 703 HA ALA 86 HA ALA 86 -4.361 -0.769 -5.845 704 1HB ALA 86 1HB ALA 86 -2.992 0.239 -4.063 705 2HB ALA 86 2HB ALA 86 -4.219 -0.851 -3.413 706 3HB ALA 86 3HB ALA 86 -4.453 0.894 -3.324 707 H TRP 87 H TRP 87 -6.503 1.853 -4.834 708 HA TRP 87 HA TRP 87 -8.713 0.301 -4.090 709 1HB TRP 87 2HB TRP 87 -8.616 2.712 -3.681 710 2HB TRP 87 1HB TRP 87 -8.628 3.027 -5.409 711 HD1 TRP 87 HD TRP 87 -10.886 3.749 -6.264 712 HE1 TRP 87 1HE TRP 87 -13.343 3.371 -5.598 713 HE3 TRP 87 3HE TRP 87 -10.168 0.596 -2.310 714 HZ2 TRP 87 2HZ TRP 87 -14.789 1.916 -3.645 715 HZ3 TRP 87 3HZ TRP 87 -12.135 -0.246 -1.094 716 HH2 TRP 87 HH TRP 87 -14.398 0.402 -1.750 717 H THR 88 H THR 88 -7.577 1.432 -7.215 718 HA THR 88 HA THR 88 -9.764 0.661 -8.777 719 HB THR 88 HB THR 88 -6.856 0.761 -9.606 720 HG1 THR 88 1HG THR 88 -7.606 2.748 -8.708 721 1HG2 THR 88 1HG2 THR 88 -8.253 -0.391 -11.245 722 2HG2 THR 88 2HG2 THR 88 -7.750 1.186 -11.856 723 3HG2 THR 88 3HG2 THR 88 -9.388 0.959 -11.243 724 H LEU 89 H LEU 89 -6.723 -1.145 -8.117 725 HA LEU 89 HA LEU 89 -7.540 -3.389 -9.629 726 1HB LEU 89 2HB LEU 89 -5.673 -4.591 -8.486 727 2HB LEU 89 1HB LEU 89 -5.219 -3.139 -9.333 728 HG LEU 89 HG LEU 89 -5.186 -1.978 -7.091 729 1HD1 LEU 89 1HD1 LEU 89 -5.264 -4.817 -6.069 730 2HD1 LEU 89 2HD1 LEU 89 -6.529 -3.611 -5.836 731 3HD1 LEU 89 3HD1 LEU 89 -4.940 -3.373 -5.106 732 1HD2 LEU 89 1HD2 LEU 89 -3.004 -2.905 -6.487 733 2HD2 LEU 89 2HD2 LEU 89 -3.166 -2.622 -8.220 734 3HD2 LEU 89 3HD2 LEU 89 -3.298 -4.259 -7.579 735 H HIS 90 H HIS 90 -8.221 -2.410 -6.402 736 HA HIS 90 HA HIS 90 -9.036 -4.943 -5.392 737 1HB HIS 90 2HB HIS 90 -8.475 -3.017 -3.944 738 2HB HIS 90 1HB HIS 90 -9.878 -2.155 -4.560 739 HD1 HIS 90 1HD HIS 90 -8.971 -5.143 -2.434 740 HD2 HIS 90 2HD HIS 90 -12.247 -2.718 -3.273 741 HE1 HIS 90 1HE HIS 90 -10.730 -5.762 -0.740 742 HE2 HIS 90 2HE HIS 90 -12.627 -4.150 -1.149 743 H VAL 91 H VAL 91 -10.678 -2.283 -7.014 744 HA VAL 91 HA VAL 91 -13.279 -3.472 -6.916 745 HB VAL 91 HB VAL 91 -12.254 -1.240 -8.685 746 1HG1 VAL 91 1HG1 VAL 91 -15.076 -2.045 -7.993 747 2HG1 VAL 91 2HG1 VAL 91 -14.301 -2.192 -9.570 748 3HG1 VAL 91 3HG1 VAL 91 -14.617 -0.596 -8.888 749 1HG2 VAL 91 1HG2 VAL 91 -13.689 -1.118 -6.035 750 2HG2 VAL 91 2HG2 VAL 91 -13.263 0.267 -7.040 751 3HG2 VAL 91 3HG2 VAL 91 -11.994 -0.723 -6.318 752 H GLU 92 H GLU 92 -10.555 -3.713 -9.028 753 HA GLU 92 HA GLU 92 -11.773 -4.251 -11.478 754 1HB GLU 92 2HB GLU 92 -9.084 -4.812 -10.319 755 2HB GLU 92 1HB GLU 92 -9.512 -5.526 -11.868 756 1HG GLU 92 2HG GLU 92 -9.549 -2.590 -11.215 757 2HG GLU 92 1HG GLU 92 -8.307 -3.432 -12.145 758 H GLY 93 H GLY 93 -12.112 -6.221 -8.827 759 1HA GLY 93 2HA GLY 93 -11.798 -8.769 -10.141 760 2HA GLY 93 1HA GLY 93 -12.503 -8.497 -8.554 761 H PHE 94 H PHE 94 -13.219 -8.011 -12.015 762 HA PHE 94 HA PHE 94 -16.014 -8.690 -11.422 763 1HB PHE 94 2HB PHE 94 -14.970 -6.572 -13.281 764 2HB PHE 94 1HB PHE 94 -16.616 -7.178 -13.357 765 HD1 PHE 94 2HD PHE 94 -17.379 -7.400 -10.569 766 HD2 PHE 94 1HD PHE 94 -15.083 -4.404 -12.530 767 HE1 PHE 94 2HE PHE 94 -18.069 -5.764 -8.866 768 HE2 PHE 94 1HE PHE 94 -15.768 -2.763 -10.832 769 HZ PHE 94 HZ PHE 94 -17.262 -3.437 -8.997 770 H HIS 95 H HIS 95 -15.402 -10.824 -11.965 771 HA HIS 95 HA HIS 95 -15.832 -12.603 -13.318 772 1HB HIS 95 2HB HIS 95 -17.564 -10.859 -14.208 773 2HB HIS 95 1HB HIS 95 -16.503 -10.787 -15.609 774 HD1 HIS 95 1HD HIS 95 -18.582 -13.269 -13.659 775 HD2 HIS 95 2HD HIS 95 -16.879 -12.812 -17.425 776 HE1 HIS 95 1HE HIS 95 -19.488 -15.160 -15.050 777 HE2 HIS 95 2HE HIS 95 -18.374 -14.923 -17.296 778 H GLU 96 H GLU 96 -13.227 -11.042 -13.396 779 HA GLU 96 HA GLU 96 -12.208 -11.681 -16.041 780 1HB GLU 96 2HB GLU 96 -10.018 -10.815 -14.872 781 2HB GLU 96 1HB GLU 96 -11.266 -9.690 -15.383 782 1HG GLU 96 2HG GLU 96 -10.358 -9.193 -13.147 783 2HG GLU 96 1HG GLU 96 -12.093 -9.491 -13.142 784 H LEU 97 H LEU 97 -10.104 -12.881 -16.206 785 HA LEU 97 HA LEU 97 -10.062 -15.134 -14.332 786 1HB LEU 97 2HB LEU 97 -8.966 -14.817 -17.121 787 2HB LEU 97 1HB LEU 97 -8.507 -16.149 -16.082 788 HG LEU 97 HG LEU 97 -10.185 -16.924 -17.575 789 1HD1 LEU 97 1HD1 LEU 97 -10.337 -17.776 -15.309 790 2HD1 LEU 97 2HD1 LEU 97 -11.939 -17.650 -16.039 791 3HD1 LEU 97 3HD1 LEU 97 -11.404 -16.444 -14.869 792 1HD2 LEU 97 1HD2 LEU 97 -11.156 -14.789 -18.220 793 2HD2 LEU 97 2HD2 LEU 97 -11.917 -14.652 -16.634 794 3HD2 LEU 97 3HD2 LEU 97 -12.403 -15.939 -17.738 795 H SER 98 H SER 98 -9.042 -13.845 -12.715 796 HA SER 98 HA SER 98 -7.263 -13.217 -11.463 797 1HB SER 98 2HB SER 98 -5.612 -14.549 -13.630 798 2HB SER 98 1HB SER 98 -5.033 -14.086 -12.030 799 HG SER 98 HG SER 98 -7.240 -15.576 -11.748 800 H LEU 99 H LEU 99 -8.412 -11.396 -13.247 801 HA LEU 99 HA LEU 99 -8.115 -9.383 -14.280 802 1HB LEU 99 2HB LEU 99 -5.475 -9.492 -12.819 803 2HB LEU 99 1HB LEU 99 -6.140 -8.056 -13.573 804 HG LEU 99 HG LEU 99 -7.340 -9.543 -11.236 805 1HD1 LEU 99 1HD1 LEU 99 -5.970 -6.862 -11.386 806 2HD1 LEU 99 2HD1 LEU 99 -5.326 -8.321 -10.632 807 3HD1 LEU 99 3HD1 LEU 99 -6.758 -7.539 -9.962 808 1HD2 LEU 99 1HD2 LEU 99 -8.918 -7.681 -11.127 809 2HD2 LEU 99 2HD2 LEU 99 -9.057 -8.559 -12.650 810 3HD2 LEU 99 3HD2 LEU 99 -8.223 -7.005 -12.601 811 H ASN 100 H ASN 100 -5.800 -8.144 -15.323 812 HA ASN 100 HA ASN 100 -4.703 -10.182 -17.133 813 1HB ASN 100 2HB ASN 100 -4.377 -8.477 -18.850 814 2HB ASN 100 1HB ASN 100 -6.069 -8.608 -18.418 815 1HD2 ASN 100 1HD2 ASN 100 -7.055 -6.909 -17.296 816 2HD2 ASN 100 2HD2 ASN 100 -6.339 -5.339 -17.208 817 H GLU 101 H GLU 101 -2.538 -9.854 -17.780 818 HA GLU 101 HA GLU 101 -0.959 -9.475 -15.458 819 1HB GLU 101 2HB GLU 101 -0.568 -11.159 -17.298 820 2HB GLU 101 1HB GLU 101 0.030 -9.839 -18.288 821 1HG GLU 101 2HG GLU 101 1.297 -10.036 -15.658 822 2HG GLU 101 1HG GLU 101 1.560 -11.432 -16.700 823 H LYS 102 H LYS 102 -1.334 -7.641 -18.442 824 HA LYS 102 HA LYS 102 0.752 -5.839 -18.164 825 1HB LYS 102 2HB LYS 102 -0.991 -6.304 -20.078 826 2HB LYS 102 1HB LYS 102 -1.871 -4.986 -19.322 827 1HG LYS 102 2HG LYS 102 0.996 -4.688 -20.131 828 2HG LYS 102 1HG LYS 102 -0.324 -4.457 -21.276 829 1HD LYS 102 2HD LYS 102 -1.263 -2.710 -19.857 830 2HD LYS 102 1HD LYS 102 0.028 -2.961 -18.679 831 1HE LYS 102 2HE LYS 102 0.465 -1.015 -20.110 832 2HE LYS 102 1HE LYS 102 1.686 -2.269 -20.319 833 1HZ LYS 102 1HZ LYS 102 0.911 -1.271 -22.430 834 2HZ LYS 102 2HZ LYS 102 -0.641 -1.894 -22.133 835 3HZ LYS 102 3HZ LYS 102 0.670 -2.950 -22.359 836 H GLU 103 H GLU 103 -2.539 -5.692 -16.858 837 HA GLU 103 HA GLU 103 -2.394 -3.056 -15.854 838 1HB GLU 103 2HB GLU 103 -4.472 -4.502 -16.176 839 2HB GLU 103 1HB GLU 103 -4.035 -5.299 -14.671 840 1HG GLU 103 2HG GLU 103 -5.648 -3.676 -14.132 841 2HG GLU 103 1HG GLU 103 -4.102 -3.033 -13.582 842 H VAL 104 H VAL 104 -1.615 -6.209 -14.455 843 HA VAL 104 HA VAL 104 -1.123 -5.304 -11.816 844 HB VAL 104 HB VAL 104 0.013 -7.738 -13.221 845 1HG1 VAL 104 1HG1 VAL 104 1.270 -7.239 -11.217 846 2HG1 VAL 104 2HG1 VAL 104 0.256 -8.657 -10.941 847 3HG1 VAL 104 3HG1 VAL 104 -0.218 -7.091 -10.284 848 1HG2 VAL 104 1HG2 VAL 104 -1.828 -8.959 -12.146 849 2HG2 VAL 104 2HG2 VAL 104 -2.411 -7.745 -13.283 850 3HG2 VAL 104 3HG2 VAL 104 -2.478 -7.431 -11.549 851 H LYS 105 H LYS 105 0.962 -5.788 -14.630 852 HA LYS 105 HA LYS 105 3.442 -5.283 -13.425 853 1HB LYS 105 2HB LYS 105 2.617 -4.587 -16.252 854 2HB LYS 105 1HB LYS 105 4.259 -4.835 -15.675 855 1HG LYS 105 2HG LYS 105 2.150 -6.973 -15.611 856 2HG LYS 105 1HG LYS 105 3.252 -6.731 -16.966 857 1HD LYS 105 2HD LYS 105 4.337 -7.042 -14.198 858 2HD LYS 105 1HD LYS 105 3.829 -8.466 -15.109 859 1HE LYS 105 2HE LYS 105 5.861 -6.420 -16.005 860 2HE LYS 105 1HE LYS 105 6.219 -8.034 -15.391 861 1HZ LYS 105 1HZ LYS 105 6.300 -8.179 -17.726 862 2HZ LYS 105 2HZ LYS 105 4.858 -7.314 -17.919 863 3HZ LYS 105 3HZ LYS 105 4.815 -8.885 -17.287 864 H LYS 106 H LYS 106 1.013 -3.140 -14.751 865 HA LYS 106 HA LYS 106 2.569 -0.752 -14.509 866 1HB LYS 106 2HB LYS 106 0.657 -1.088 -16.106 867 2HB LYS 106 1HB LYS 106 -0.434 -1.033 -14.730 868 1HG LYS 106 2HG LYS 106 0.676 1.264 -14.267 869 2HG LYS 106 1HG LYS 106 1.170 1.161 -15.959 870 1HD LYS 106 2HD LYS 106 -0.890 2.327 -15.943 871 2HD LYS 106 1HD LYS 106 -1.255 0.691 -16.503 872 1HE LYS 106 2HE LYS 106 -1.842 0.130 -14.122 873 2HE LYS 106 1HE LYS 106 -1.709 1.850 -13.761 874 1HZ LYS 106 1HZ LYS 106 -3.907 1.741 -14.213 875 2HZ LYS 106 2HZ LYS 106 -3.759 0.406 -15.249 876 3HZ LYS 106 3HZ LYS 106 -3.367 1.960 -15.809 877 H LEU 107 H LEU 107 0.052 -2.334 -12.591 878 HA LEU 107 HA LEU 107 -0.340 -0.186 -10.800 879 1HB LEU 107 2HB LEU 107 -1.524 -2.672 -11.251 880 2HB LEU 107 1HB LEU 107 -0.911 -2.764 -9.609 881 HG LEU 107 HG LEU 107 -3.171 -2.003 -9.458 882 1HD1 LEU 107 1HD1 LEU 107 -1.621 -0.872 -7.966 883 2HD1 LEU 107 2HD1 LEU 107 -2.923 0.211 -8.461 884 3HD1 LEU 107 3HD1 LEU 107 -1.323 0.365 -9.187 885 1HD2 LEU 107 1HD2 LEU 107 -2.429 0.104 -11.495 886 2HD2 LEU 107 2HD2 LEU 107 -3.983 -0.035 -10.673 887 3HD2 LEU 107 3HD2 LEU 107 -3.454 -1.304 -11.779 888 H LYS 108 H LYS 108 1.688 -3.111 -10.566 889 HA LYS 108 HA LYS 108 2.387 -2.662 -7.865 890 1HB LYS 108 2HB LYS 108 3.977 -4.405 -8.072 891 2HB LYS 108 1HB LYS 108 2.602 -4.855 -9.066 892 1HG LYS 108 2HG LYS 108 3.795 -4.252 -11.068 893 2HG LYS 108 1HG LYS 108 5.154 -3.645 -10.114 894 1HD LYS 108 2HD LYS 108 5.377 -5.947 -9.143 895 2HD LYS 108 1HD LYS 108 4.175 -6.491 -10.312 896 1HE LYS 108 2HE LYS 108 5.633 -5.755 -12.139 897 2HE LYS 108 1HE LYS 108 6.835 -5.228 -10.961 898 1HZ LYS 108 1HZ LYS 108 5.897 -8.014 -11.367 899 2HZ LYS 108 2HZ LYS 108 6.999 -7.536 -10.179 900 3HZ LYS 108 3HZ LYS 108 7.403 -7.395 -11.826 901 H GLU 109 H GLU 109 3.570 -1.283 -10.801 902 HA GLU 109 HA GLU 109 6.030 -0.260 -9.797 903 1HB GLU 109 2HB GLU 109 5.698 -0.339 -12.178 904 2HB GLU 109 1HB GLU 109 4.224 0.612 -12.061 905 1HG GLU 109 2HG GLU 109 5.953 2.005 -12.924 906 2HG GLU 109 1HG GLU 109 5.588 2.531 -11.283 907 H ASP 110 H ASP 110 2.761 1.071 -10.094 908 HA ASP 110 HA ASP 110 3.373 3.597 -8.935 909 1HB ASP 110 2HB ASP 110 1.351 2.876 -10.412 910 2HB ASP 110 1HB ASP 110 0.629 2.352 -8.894 911 H VAL 111 H VAL 111 2.169 0.535 -7.674 912 HA VAL 111 HA VAL 111 1.793 1.407 -4.999 913 HB VAL 111 HB VAL 111 2.374 -1.364 -6.068 914 1HG1 VAL 111 1HG1 VAL 111 2.953 -1.238 -3.706 915 2HG1 VAL 111 2HG1 VAL 111 1.484 -2.187 -3.935 916 3HG1 VAL 111 3HG1 VAL 111 1.379 -0.528 -3.344 917 1HG2 VAL 111 1HG2 VAL 111 0.312 -0.401 -6.926 918 2HG2 VAL 111 2HG2 VAL 111 -0.213 -0.034 -5.284 919 3HG2 VAL 111 3HG2 VAL 111 -0.034 -1.712 -5.798 920 H ARG 112 H ARG 112 4.566 0.240 -6.807 921 HA ARG 112 HA ARG 112 6.320 -0.221 -4.670 922 1HB ARG 112 2HB ARG 112 6.783 -0.928 -6.992 923 2HB ARG 112 1HB ARG 112 6.988 0.753 -7.458 924 1HG ARG 112 2HG ARG 112 8.964 0.969 -6.180 925 2HG ARG 112 1HG ARG 112 8.687 -0.567 -5.358 926 1HD ARG 112 2HD ARG 112 10.407 -0.846 -7.022 927 2HD ARG 112 1HD ARG 112 8.969 -1.734 -7.513 928 HE ARG 112 HE ARG 112 8.569 0.451 -8.901 929 1HH1 ARG 112 1HH1 ARG 112 11.623 -1.165 -8.291 930 2HH1 ARG 112 2HH1 ARG 112 12.324 -0.682 -9.810 931 1HH2 ARG 112 1HH2 ARG 112 9.475 1.067 -10.906 932 2HH2 ARG 112 2HH2 ARG 112 11.114 0.598 -11.292 933 H LYS 113 H LYS 113 5.447 2.717 -6.398 934 HA LYS 113 HA LYS 113 7.242 4.543 -5.361 935 1HB LYS 113 2HB LYS 113 4.332 4.745 -6.090 936 2HB LYS 113 1HB LYS 113 5.222 6.139 -5.516 937 1HG LYS 113 2HG LYS 113 6.708 6.049 -7.386 938 2HG LYS 113 1HG LYS 113 6.015 4.511 -7.909 939 1HD LYS 113 2HD LYS 113 3.992 5.504 -8.544 940 2HD LYS 113 1HD LYS 113 4.323 6.969 -7.617 941 1HE LYS 113 2HE LYS 113 5.928 6.105 -10.013 942 2HE LYS 113 1HE LYS 113 4.553 7.205 -10.101 943 1HZ LYS 113 1HZ LYS 113 6.587 8.446 -9.994 944 2HZ LYS 113 2HZ LYS 113 7.068 7.648 -8.578 945 3HZ LYS 113 3HZ LYS 113 5.721 8.687 -8.554 946 H LEU 114 H LEU 114 4.209 3.372 -3.962 947 HA LEU 114 HA LEU 114 4.249 4.977 -1.643 948 1HB LEU 114 2HB LEU 114 2.442 3.319 -2.808 949 2HB LEU 114 1HB LEU 114 2.981 2.323 -1.488 950 HG LEU 114 HG LEU 114 1.876 5.055 -1.170 951 1HD1 LEU 114 1HD1 LEU 114 -0.130 3.938 -0.308 952 2HD1 LEU 114 2HD1 LEU 114 0.571 2.385 -0.762 953 3HD1 LEU 114 3HD1 LEU 114 0.169 3.570 -2.005 954 1HD2 LEU 114 1HD2 LEU 114 2.438 2.937 0.883 955 2HD2 LEU 114 2HD2 LEU 114 1.742 4.528 1.192 956 3HD2 LEU 114 3HD2 LEU 114 3.405 4.389 0.623 957 H VAL 115 H VAL 115 5.392 1.707 -2.336 958 HA VAL 115 HA VAL 115 6.165 1.034 0.279 959 HB VAL 115 HB VAL 115 7.329 0.013 -2.318 960 1HG1 VAL 115 1HG1 VAL 115 8.763 -0.499 -0.416 961 2HG1 VAL 115 2HG1 VAL 115 7.983 -1.960 -1.022 962 3HG1 VAL 115 3HG1 VAL 115 7.387 -1.190 0.447 963 1HG2 VAL 115 1HG2 VAL 115 4.915 -0.296 -2.215 964 2HG2 VAL 115 2HG2 VAL 115 5.069 -1.061 -0.635 965 3HG2 VAL 115 3HG2 VAL 115 5.747 -1.844 -2.063 966 H ILE 116 H ILE 116 8.007 2.463 -2.402 967 HA ILE 116 HA ILE 116 10.514 2.564 -1.188 968 HB ILE 116 HB ILE 116 9.294 4.586 -3.082 969 1HG1 ILE 116 2HG1 ILE 116 9.351 2.356 -4.044 970 2HG1 ILE 116 1HG1 ILE 116 10.565 3.368 -4.819 971 1HG2 ILE 116 1HG2 ILE 116 12.196 4.146 -2.390 972 2HG2 ILE 116 2HG2 ILE 116 11.215 5.525 -1.896 973 3HG2 ILE 116 3HG2 ILE 116 11.578 5.267 -3.604 974 1HD1 ILE 116 1HD1 ILE 116 11.387 1.118 -4.386 975 2HD1 ILE 116 2HD1 ILE 116 11.100 1.344 -2.659 976 3HD1 ILE 116 3HD1 ILE 116 12.304 2.328 -3.491 977 H PHE 117 H PHE 117 7.708 4.634 -0.799 978 HA PHE 117 HA PHE 117 9.095 6.775 0.481 979 1HB PHE 117 2HB PHE 117 6.802 6.849 -0.687 980 2HB PHE 117 1HB PHE 117 6.154 6.185 0.809 981 HD1 PHE 117 1HD PHE 117 6.292 7.503 2.899 982 HD2 PHE 117 2HD PHE 117 7.429 9.118 -0.870 983 HE1 PHE 117 1HE PHE 117 6.149 9.773 3.835 984 HE2 PHE 117 2HE PHE 117 7.298 11.392 0.059 985 HZ PHE 117 HZ PHE 117 6.656 11.722 2.413 986 H ALA 118 H ALA 118 7.156 4.050 1.655 987 HA ALA 118 HA ALA 118 7.313 4.690 4.400 988 1HB ALA 118 1HB ALA 118 6.981 1.963 3.147 989 2HB ALA 118 2HB ALA 118 5.676 3.113 3.441 990 3HB ALA 118 3HB ALA 118 6.563 2.418 4.799 991 H VAL 119 H VAL 119 9.311 2.604 2.330 992 HA VAL 119 HA VAL 119 11.005 1.709 4.430 993 HB VAL 119 HB VAL 119 11.590 1.793 1.462 994 1HG1 VAL 119 1HG1 VAL 119 13.178 -0.007 1.931 995 2HG1 VAL 119 2HG1 VAL 119 12.824 0.123 3.653 996 3HG1 VAL 119 3HG1 VAL 119 13.603 1.462 2.809 997 1HG2 VAL 119 1HG2 VAL 119 10.351 -0.375 3.153 998 2HG2 VAL 119 2HG2 VAL 119 10.840 -0.556 1.469 999 3HG2 VAL 119 3HG2 VAL 119 9.548 0.566 1.896 1000 H ASN 120 H ASN 120 11.039 4.462 2.274 1001 HA ASN 120 HA ASN 120 13.666 5.359 2.692 1002 1HB ASN 120 2HB ASN 120 12.023 6.204 0.969 1003 2HB ASN 120 1HB ASN 120 11.229 7.098 2.260 1004 1HD2 ASN 120 1HD2 ASN 120 14.090 6.824 0.295 1005 2HD2 ASN 120 2HD2 ASN 120 14.714 8.396 0.638 1006 H SER 121 H SER 121 10.719 5.797 4.545 1007 HA SER 121 HA SER 121 11.749 7.692 6.396 1008 1HB SER 121 2HB SER 121 9.324 7.290 5.947 1009 2HB SER 121 1HB SER 121 9.466 5.738 6.763 1010 HG SER 121 HG SER 121 8.976 8.095 7.828 1011 H LEU 122 H LEU 122 11.772 4.212 6.195 1012 HA LEU 122 HA LEU 122 12.386 3.665 8.897 1013 1HB LEU 122 2HB LEU 122 12.942 2.041 6.418 1014 2HB LEU 122 1HB LEU 122 13.063 1.441 8.061 1015 HG LEU 122 HG LEU 122 10.513 2.476 6.816 1016 1HD1 LEU 122 1HD1 LEU 122 9.825 0.129 6.715 1017 2HD1 LEU 122 2HD1 LEU 122 11.431 -0.363 7.255 1018 3HD1 LEU 122 3HD1 LEU 122 11.231 0.440 5.698 1019 1HD2 LEU 122 1HD2 LEU 122 10.589 2.699 9.239 1020 2HD2 LEU 122 2HD2 LEU 122 11.028 0.998 9.394 1021 3HD2 LEU 122 3HD2 LEU 122 9.445 1.446 8.760 1022 H GLU 123 H GLU 123 14.328 4.513 6.138 1023 HA GLU 123 HA GLU 123 16.751 4.307 7.789 1024 1HB GLU 123 2HB GLU 123 16.425 4.645 4.803 1025 2HB GLU 123 1HB GLU 123 17.973 4.691 5.635 1026 1HG GLU 123 2HG GLU 123 17.517 2.385 6.459 1027 2HG GLU 123 1HG GLU 123 16.087 2.361 5.427 1028 H HIS 124 H HIS 124 15.544 6.172 8.855 1029 HA HIS 124 HA HIS 124 15.592 8.715 7.508 1030 1HB HIS 124 2HB HIS 124 14.666 9.616 9.547 1031 2HB HIS 124 1HB HIS 124 13.859 8.097 9.187 1032 HD1 HIS 124 1HD HIS 124 14.565 9.741 12.028 1033 HD2 HIS 124 2HD HIS 124 15.881 6.026 10.694 1034 HE1 HIS 124 1HE HIS 124 15.257 8.482 14.092 1035 HE2 HIS 124 2HE HIS 124 16.146 6.284 13.251 1036 H HIS 125 H HIS 125 18.155 7.486 7.648 1037 HA HIS 125 HA HIS 125 19.782 8.287 9.766 1038 1HB HIS 125 2HB HIS 125 20.434 6.635 8.047 1039 2HB HIS 125 1HB HIS 125 20.565 7.932 6.864 1040 HD1 HIS 125 1HD HIS 125 22.329 6.412 9.803 1041 HD2 HIS 125 2HD HIS 125 22.869 9.521 7.088 1042 HE1 HIS 125 1HE HIS 125 24.715 7.158 10.083 1043 HE2 HIS 125 2HE HIS 125 25.065 8.924 8.318 1044 H HIS 126 H HIS 126 18.845 10.051 6.849 1045 HA HIS 126 HA HIS 126 20.525 12.296 7.671 1046 1HB HIS 126 2HB HIS 126 20.454 11.567 5.272 1047 2HB HIS 126 1HB HIS 126 18.772 12.083 5.215 1048 HD1 HIS 126 1HD HIS 126 18.976 14.041 3.638 1049 HD2 HIS 126 2HD HIS 126 21.665 14.234 6.808 1050 HE1 HIS 126 1HE HIS 126 20.060 16.301 3.474 1051 HE2 HIS 126 2HE HIS 126 21.545 16.466 5.503 1052 H HIS 127 H HIS 127 17.207 11.300 7.594 1053 HA HIS 127 HA HIS 127 15.255 12.214 8.280 1054 1HB HIS 127 2HB HIS 127 16.322 12.299 10.440 1055 2HB HIS 127 1HB HIS 127 17.162 13.786 10.030 1056 HD1 HIS 127 1HD HIS 127 13.575 12.584 10.542 1057 HD2 HIS 127 2HD HIS 127 15.895 16.023 10.872 1058 HE1 HIS 127 1HE HIS 127 12.074 14.325 11.563 1059 HE2 HIS 127 2HE HIS 127 13.545 16.344 11.906 1060 H HIS 128 H HIS 128 14.823 13.066 6.196 1061 HA HIS 128 HA HIS 128 14.190 14.683 4.712 1062 1HB HIS 128 2HB HIS 128 13.213 15.564 6.987 1063 2HB HIS 128 1HB HIS 128 14.490 16.764 6.867 1064 HD1 HIS 128 1HD HIS 128 14.095 18.730 5.312 1065 HD2 HIS 128 2HD HIS 128 11.217 15.745 4.962 1066 HE1 HIS 128 1HE HIS 128 12.268 19.710 3.892 1067 HE2 HIS 128 2HE HIS 128 10.428 17.989 3.949 1068 H HIS 129 H HIS 129 15.015 17.251 4.203 1069 HA HIS 129 HA HIS 129 17.863 17.408 4.776 1070 1HB HIS 129 2HB HIS 129 18.564 17.801 2.566 1071 2HB HIS 129 1HB HIS 129 17.475 16.432 2.427 1072 HD1 HIS 129 1HD HIS 129 15.517 16.680 0.847 1073 HD2 HIS 129 2HD HIS 129 17.494 20.271 1.556 1074 HE1 HIS 129 1HE HIS 129 14.579 18.314 -0.811 1075 HE2 HIS 129 2HE HIS 129 15.657 20.515 -0.247 Start of MODEL 13 1 1H MET 1 1HT MET 1 20.956 -1.756 10.177 2 2H MET 1 2HT MET 1 22.158 -2.743 9.514 3 3H MET 1 3HT MET 1 22.205 -2.342 11.161 4 HA MET 1 HA MET 1 21.436 -4.582 10.904 5 1HB MET 1 2HB MET 1 19.404 -4.446 12.184 6 2HB MET 1 1HB MET 1 20.456 -3.134 12.695 7 1HG MET 1 2HG MET 1 18.146 -2.856 10.784 8 2HG MET 1 1HG MET 1 18.103 -2.459 12.500 9 1HE MET 1 1HE MET 1 17.997 1.062 10.772 10 2HE MET 1 2HE MET 1 17.209 -0.026 11.915 11 3HE MET 1 3HE MET 1 17.247 -0.429 10.200 12 H SER 2 H SER 2 19.923 -6.073 10.047 13 HA SER 2 HA SER 2 18.939 -5.410 7.430 14 1HB SER 2 2HB SER 2 18.479 -7.898 9.102 15 2HB SER 2 1HB SER 2 18.168 -7.734 7.373 16 HG SER 2 HG SER 2 20.137 -8.666 7.516 17 H ILE 3 H ILE 3 16.800 -5.153 6.808 18 HA ILE 3 HA ILE 3 14.918 -4.754 9.039 19 HB ILE 3 HB ILE 3 13.732 -3.129 7.697 20 1HG1 ILE 3 2HG1 ILE 3 15.828 -3.693 5.597 21 2HG1 ILE 3 1HG1 ILE 3 14.119 -4.071 5.485 22 1HG2 ILE 3 1HG2 ILE 3 15.560 -2.318 9.084 23 2HG2 ILE 3 2HG2 ILE 3 15.420 -1.352 7.616 24 3HG2 ILE 3 3HG2 ILE 3 16.695 -2.563 7.755 25 1HD1 ILE 3 1HD1 ILE 3 14.692 -2.106 4.175 26 2HD1 ILE 3 2HD1 ILE 3 15.291 -1.305 5.627 27 3HD1 ILE 3 3HD1 ILE 3 13.578 -1.702 5.480 28 H SER 4 H SER 4 12.635 -5.013 8.417 29 HA SER 4 HA SER 4 11.896 -6.597 6.185 30 1HB SER 4 2HB SER 4 13.022 -8.334 7.624 31 2HB SER 4 1HB SER 4 11.812 -8.017 8.865 32 HG SER 4 HG SER 4 11.491 -9.182 6.315 33 H THR 5 H THR 5 10.336 -5.055 5.926 34 HA THR 5 HA THR 5 8.452 -4.633 8.131 35 HB THR 5 HB THR 5 7.655 -2.696 6.694 36 HG1 THR 5 1HG THR 5 9.768 -2.163 5.310 37 1HG2 THR 5 1HG2 THR 5 10.498 -2.695 7.710 38 2HG2 THR 5 2HG2 THR 5 9.045 -2.319 8.638 39 3HG2 THR 5 3HG2 THR 5 9.560 -1.250 7.334 40 H SER 6 H SER 6 6.164 -4.360 7.502 41 HA SER 6 HA SER 6 5.077 -6.598 6.339 42 1HB SER 6 2HB SER 6 3.713 -3.908 6.340 43 2HB SER 6 1HB SER 6 2.989 -5.503 6.556 44 HG SER 6 HG SER 6 3.407 -5.389 8.604 45 H ALA 7 H ALA 7 5.755 -3.454 4.848 46 HA ALA 7 HA ALA 7 4.498 -3.898 2.391 47 1HB ALA 7 1HB ALA 7 5.895 -2.086 1.542 48 2HB ALA 7 2HB ALA 7 6.915 -2.193 2.979 49 3HB ALA 7 3HB ALA 7 5.231 -1.694 3.127 50 H GLU 8 H GLU 8 7.954 -4.272 3.232 51 HA GLU 8 HA GLU 8 8.847 -5.322 0.828 52 1HB GLU 8 2HB GLU 8 9.782 -5.901 3.644 53 2HB GLU 8 1HB GLU 8 10.663 -6.373 2.199 54 1HG GLU 8 2HG GLU 8 9.966 -3.533 2.900 55 2HG GLU 8 1HG GLU 8 11.501 -4.309 3.291 56 H VAL 9 H VAL 9 7.565 -7.054 3.653 57 HA VAL 9 HA VAL 9 7.989 -9.660 2.741 58 HB VAL 9 HB VAL 9 5.818 -8.624 4.573 59 1HG1 VAL 9 1HG1 VAL 9 5.193 -10.805 3.668 60 2HG1 VAL 9 2HG1 VAL 9 5.610 -10.925 5.376 61 3HG1 VAL 9 3HG1 VAL 9 6.758 -11.460 4.149 62 1HG2 VAL 9 1HG2 VAL 9 8.509 -9.858 5.144 63 2HG2 VAL 9 2HG2 VAL 9 7.296 -9.456 6.359 64 3HG2 VAL 9 3HG2 VAL 9 8.046 -8.174 5.407 65 H TYR 10 H TYR 10 4.994 -7.715 2.530 66 HA TYR 10 HA TYR 10 3.588 -9.697 1.070 67 1HB TYR 10 2HB TYR 10 3.065 -6.778 1.580 68 2HB TYR 10 1HB TYR 10 1.997 -7.749 0.576 69 HD1 TYR 10 2HD TYR 10 0.972 -9.850 1.628 70 HD2 TYR 10 1HD TYR 10 2.817 -6.773 3.912 71 HE1 TYR 10 2HE TYR 10 -0.217 -10.634 3.634 72 HE2 TYR 10 1HE TYR 10 1.636 -7.546 5.921 73 HH TYR 10 HH TYR 10 -0.310 -8.792 6.542 74 H TYR 11 H TYR 11 5.513 -6.912 0.104 75 HA TYR 11 HA TYR 11 4.735 -6.908 -2.622 76 1HB TYR 11 2HB TYR 11 5.934 -5.058 -1.345 77 2HB TYR 11 1HB TYR 11 7.407 -6.001 -1.531 78 HD1 TYR 11 1HD TYR 11 4.602 -4.827 -3.719 79 HD2 TYR 11 2HD TYR 11 8.801 -5.308 -3.221 80 HE1 TYR 11 1HE TYR 11 4.975 -3.751 -5.897 81 HE2 TYR 11 2HE TYR 11 9.187 -4.239 -5.402 82 HH TYR 11 HH TYR 11 6.626 -2.666 -7.157 83 H GLU 12 H GLU 12 7.193 -8.612 -0.802 84 HA GLU 12 HA GLU 12 8.520 -9.771 -3.036 85 1HB GLU 12 2HB GLU 12 9.496 -9.521 -0.755 86 2HB GLU 12 1HB GLU 12 8.386 -10.754 -0.183 87 1HG GLU 12 2HG GLU 12 9.409 -12.396 -1.635 88 2HG GLU 12 1HG GLU 12 10.489 -11.166 -2.290 89 H GLU 13 H GLU 13 5.862 -10.845 -0.924 90 HA GLU 13 HA GLU 13 5.606 -13.425 -2.054 91 1HB GLU 13 2HB GLU 13 3.534 -11.678 -0.722 92 2HB GLU 13 1HB GLU 13 3.248 -13.344 -1.196 93 1HG GLU 13 2HG GLU 13 5.266 -13.904 0.285 94 2HG GLU 13 1HG GLU 13 5.048 -12.285 0.949 95 H ALA 14 H ALA 14 4.352 -10.276 -2.997 96 HA ALA 14 HA ALA 14 2.605 -11.091 -5.030 97 1HB ALA 14 1HB ALA 14 2.940 -8.868 -5.986 98 2HB ALA 14 2HB ALA 14 4.350 -8.628 -4.954 99 3HB ALA 14 3HB ALA 14 2.745 -8.779 -4.237 100 H GLU 15 H GLU 15 6.059 -10.322 -5.129 101 HA GLU 15 HA GLU 15 6.547 -10.965 -7.808 102 1HB GLU 15 2HB GLU 15 8.224 -10.839 -5.330 103 2HB GLU 15 1HB GLU 15 8.926 -11.443 -6.820 104 1HG GLU 15 2HG GLU 15 7.556 -8.778 -6.619 105 2HG GLU 15 1HG GLU 15 9.282 -9.002 -6.331 106 H GLU 16 H GLU 16 6.480 -12.975 -4.912 107 HA GLU 16 HA GLU 16 7.507 -15.327 -5.978 108 1HB GLU 16 2HB GLU 16 5.646 -14.719 -3.727 109 2HB GLU 16 1HB GLU 16 6.095 -16.359 -4.104 110 1HG GLU 16 2HG GLU 16 7.989 -14.148 -3.374 111 2HG GLU 16 1HG GLU 16 7.450 -15.440 -2.302 112 H PHE 17 H PHE 17 4.119 -14.332 -5.612 113 HA PHE 17 HA PHE 17 3.156 -16.695 -6.912 114 1HB PHE 17 2HB PHE 17 1.786 -14.167 -6.016 115 2HB PHE 17 1HB PHE 17 0.930 -15.471 -6.836 116 HD1 PHE 17 2HD PHE 17 1.008 -17.783 -5.791 117 HD2 PHE 17 1HD PHE 17 2.153 -14.248 -3.714 118 HE1 PHE 17 2HE PHE 17 0.726 -18.955 -3.647 119 HE2 PHE 17 1HE PHE 17 1.876 -15.416 -1.569 120 HZ PHE 17 HZ PHE 17 1.162 -17.773 -1.532 121 H LEU 18 H LEU 18 3.932 -13.458 -7.952 122 HA LEU 18 HA LEU 18 2.605 -13.513 -10.440 123 1HB LEU 18 2HB LEU 18 3.530 -11.475 -9.421 124 2HB LEU 18 1HB LEU 18 5.152 -12.091 -9.670 125 HG LEU 18 HG LEU 18 4.778 -12.035 -12.114 126 1HD1 LEU 18 1HD1 LEU 18 2.170 -10.720 -11.365 127 2HD1 LEU 18 2HD1 LEU 18 2.361 -12.292 -12.142 128 3HD1 LEU 18 3HD1 LEU 18 2.840 -10.823 -12.994 129 1HD2 LEU 18 1HD2 LEU 18 4.282 -9.433 -10.679 130 2HD2 LEU 18 2HD2 LEU 18 4.864 -9.602 -12.335 131 3HD2 LEU 18 3HD2 LEU 18 5.856 -10.168 -10.991 132 H SER 19 H SER 19 5.700 -14.745 -9.361 133 HA SER 19 HA SER 19 6.644 -15.437 -11.970 134 1HB SER 19 2HB SER 19 7.531 -16.424 -9.247 135 2HB SER 19 1HB SER 19 8.416 -16.642 -10.757 136 HG SER 19 HG SER 19 8.116 -14.377 -9.169 137 H LYS 20 H LYS 20 4.583 -16.906 -9.624 138 HA LYS 20 HA LYS 20 4.734 -19.573 -10.671 139 1HB LYS 20 2HB LYS 20 4.062 -19.059 -8.336 140 2HB LYS 20 1HB LYS 20 2.613 -18.277 -8.943 141 1HG LYS 20 2HG LYS 20 1.863 -20.411 -9.883 142 2HG LYS 20 1HG LYS 20 3.311 -21.191 -9.238 143 1HD LYS 20 2HD LYS 20 2.624 -20.539 -6.966 144 2HD LYS 20 1HD LYS 20 1.160 -19.809 -7.630 145 1HE LYS 20 2HE LYS 20 1.929 -22.721 -7.799 146 2HE LYS 20 1HE LYS 20 0.712 -22.033 -6.727 147 1HZ LYS 20 1HZ LYS 20 0.625 -22.253 -9.681 148 2HZ LYS 20 2HZ LYS 20 -0.423 -21.238 -8.824 149 3HZ LYS 20 3HZ LYS 20 -0.453 -22.908 -8.551 150 H GLY 21 H GLY 21 2.940 -16.681 -11.355 151 1HA GLY 21 2HA GLY 21 2.106 -16.449 -13.630 152 2HA GLY 21 1HA GLY 21 1.581 -18.122 -13.541 153 H ASP 22 H ASP 22 0.902 -16.776 -10.600 154 HA ASP 22 HA ASP 22 -1.899 -16.491 -11.372 155 1HB ASP 22 2HB ASP 22 -1.196 -17.944 -9.410 156 2HB ASP 22 1HB ASP 22 -0.790 -16.452 -8.563 157 H LEU 23 H LEU 23 -2.456 -14.533 -12.000 158 HA LEU 23 HA LEU 23 -1.036 -12.177 -11.172 159 1HB LEU 23 2HB LEU 23 -3.567 -12.460 -12.800 160 2HB LEU 23 1HB LEU 23 -2.604 -11.005 -12.656 161 HG LEU 23 HG LEU 23 -1.610 -13.576 -13.891 162 1HD1 LEU 23 1HD1 LEU 23 -1.862 -12.397 -16.032 163 2HD1 LEU 23 2HD1 LEU 23 -2.658 -11.068 -15.191 164 3HD1 LEU 23 3HD1 LEU 23 -3.410 -12.663 -15.229 165 1HD2 LEU 23 1HD2 LEU 23 -0.477 -10.780 -13.886 166 2HD2 LEU 23 2HD2 LEU 23 0.206 -12.174 -14.723 167 3HD2 LEU 23 3HD2 LEU 23 0.146 -12.146 -12.961 168 H VAL 24 H VAL 24 -3.826 -13.875 -10.108 169 HA VAL 24 HA VAL 24 -5.293 -11.624 -9.139 170 HB VAL 24 HB VAL 24 -5.618 -14.562 -8.496 171 1HG1 VAL 24 1HG1 VAL 24 -7.531 -12.264 -8.096 172 2HG1 VAL 24 2HG1 VAL 24 -6.670 -13.127 -6.822 173 3HG1 VAL 24 3HG1 VAL 24 -7.880 -13.966 -7.794 174 1HG2 VAL 24 1HG2 VAL 24 -5.873 -14.141 -10.871 175 2HG2 VAL 24 2HG2 VAL 24 -7.006 -12.831 -10.541 176 3HG2 VAL 24 3HG2 VAL 24 -7.442 -14.493 -10.147 177 H GLN 25 H GLN 25 -3.491 -14.257 -7.540 178 HA GLN 25 HA GLN 25 -3.854 -13.168 -4.937 179 1HB GLN 25 2HB GLN 25 -1.799 -15.159 -5.916 180 2HB GLN 25 1HB GLN 25 -2.191 -14.839 -4.231 181 1HG GLN 25 2HG GLN 25 -4.485 -15.613 -4.638 182 2HG GLN 25 1HG GLN 25 -4.053 -15.968 -6.309 183 1HE2 GLN 25 1HE2 GLN 25 -4.508 -18.123 -6.126 184 2HE2 GLN 25 2HE2 GLN 25 -3.522 -19.219 -5.222 185 H ALA 26 H ALA 26 -1.436 -12.780 -7.422 186 HA ALA 26 HA ALA 26 0.580 -11.557 -5.906 187 1HB ALA 26 1HB ALA 26 -0.139 -11.096 -8.798 188 2HB ALA 26 2HB ALA 26 0.939 -12.349 -8.183 189 3HB ALA 26 3HB ALA 26 1.384 -10.650 -8.028 190 H CYS 27 H CYS 27 -2.265 -10.210 -7.530 191 HA CYS 27 HA CYS 27 -1.652 -7.500 -7.167 192 1HB CYS 27 2HB CYS 27 -4.320 -8.887 -7.437 193 2HB CYS 27 1HB CYS 27 -4.122 -7.137 -7.437 194 HG CYS 27 HG CYS 27 -3.028 -9.363 -9.787 195 H GLU 28 H GLU 28 -3.594 -9.690 -5.153 196 HA GLU 28 HA GLU 28 -4.372 -7.769 -3.259 197 1HB GLU 28 2HB GLU 28 -5.286 -10.135 -3.624 198 2HB GLU 28 1HB GLU 28 -3.937 -10.689 -2.643 199 1HG GLU 28 2HG GLU 28 -5.741 -10.524 -1.172 200 2HG GLU 28 1HG GLU 28 -4.761 -9.092 -0.861 201 H LYS 29 H LYS 29 -1.480 -9.716 -3.591 202 HA LYS 29 HA LYS 29 -0.430 -9.343 -1.011 203 1HB LYS 29 2HB LYS 29 0.941 -9.861 -3.645 204 2HB LYS 29 1HB LYS 29 1.789 -9.822 -2.106 205 1HG LYS 29 2HG LYS 29 -0.442 -11.710 -2.828 206 2HG LYS 29 1HG LYS 29 1.280 -12.097 -2.822 207 1HD LYS 29 2HD LYS 29 1.352 -11.559 -0.406 208 2HD LYS 29 1HD LYS 29 -0.392 -11.286 -0.442 209 1HE LYS 29 2HE LYS 29 -0.765 -13.586 -1.112 210 2HE LYS 29 1HE LYS 29 0.973 -13.872 -1.179 211 1HZ LYS 29 1HZ LYS 29 -0.641 -13.269 1.239 212 2HZ LYS 29 2HZ LYS 29 1.055 -13.366 1.224 213 3HZ LYS 29 3HZ LYS 29 0.120 -14.735 0.856 214 H TYR 30 H TYR 30 0.393 -7.567 -4.040 215 HA TYR 30 HA TYR 30 1.939 -5.700 -2.516 216 1HB TYR 30 2HB TYR 30 2.291 -4.467 -4.595 217 2HB TYR 30 1HB TYR 30 2.633 -6.176 -4.790 218 HD1 TYR 30 1HD TYR 30 -0.109 -3.689 -5.378 219 HD2 TYR 30 2HD TYR 30 1.794 -7.278 -6.634 220 HE1 TYR 30 1HE TYR 30 -1.520 -3.727 -7.392 221 HE2 TYR 30 2HE TYR 30 0.383 -7.331 -8.645 222 HH TYR 30 HH TYR 30 -1.841 -6.433 -9.370 223 H TYR 31 H TYR 31 -1.370 -5.924 -3.394 224 HA TYR 31 HA TYR 31 -2.103 -3.230 -3.009 225 1HB TYR 31 2HB TYR 31 -3.870 -4.487 -3.844 226 2HB TYR 31 1HB TYR 31 -3.549 -5.844 -2.766 227 HD1 TYR 31 2HD TYR 31 -4.937 -2.391 -2.871 228 HD2 TYR 31 1HD TYR 31 -4.662 -6.043 -0.706 229 HE1 TYR 31 2HE TYR 31 -6.651 -1.587 -1.299 230 HE2 TYR 31 1HE TYR 31 -6.368 -5.247 0.870 231 HH TYR 31 HH TYR 31 -7.206 -3.015 1.675 232 H LYS 32 H LYS 32 -1.945 -5.964 -0.710 233 HA LYS 32 HA LYS 32 -2.626 -4.351 1.504 234 1HB LYS 32 2HB LYS 32 -2.541 -7.012 1.178 235 2HB LYS 32 1HB LYS 32 -0.992 -6.779 1.987 236 1HG LYS 32 2HG LYS 32 -2.343 -5.360 3.653 237 2HG LYS 32 1HG LYS 32 -3.745 -6.180 2.980 238 1HD LYS 32 2HD LYS 32 -2.704 -8.344 3.548 239 2HD LYS 32 1HD LYS 32 -1.366 -7.473 4.305 240 1HE LYS 32 2HE LYS 32 -4.262 -7.503 5.127 241 2HE LYS 32 1HE LYS 32 -2.875 -8.096 6.039 242 1HZ LYS 32 1HZ LYS 32 -2.078 -5.738 6.102 243 2HZ LYS 32 2HZ LYS 32 -3.508 -6.018 6.956 244 3HZ LYS 32 3HZ LYS 32 -3.566 -5.263 5.437 245 H ALA 33 H ALA 33 0.416 -5.221 -0.014 246 HA ALA 33 HA ALA 33 2.199 -4.247 1.892 247 1HB ALA 33 1HB ALA 33 3.756 -3.897 0.035 248 2HB ALA 33 2HB ALA 33 2.431 -4.074 -1.114 249 3HB ALA 33 3HB ALA 33 2.921 -5.443 -0.114 250 H ALA 34 H ALA 34 0.151 -2.578 -0.389 251 HA ALA 34 HA ALA 34 1.321 -0.002 -0.032 252 1HB ALA 34 1HB ALA 34 0.064 -0.579 -2.051 253 2HB ALA 34 2HB ALA 34 -0.611 0.838 -1.249 254 3HB ALA 34 3HB ALA 34 -1.408 -0.727 -1.089 255 H GLU 35 H GLU 35 -1.637 -1.561 1.271 256 HA GLU 35 HA GLU 35 -2.407 0.704 2.783 257 1HB GLU 35 2HB GLU 35 -3.946 -0.786 3.969 258 2HB GLU 35 1HB GLU 35 -4.023 -1.020 2.233 259 1HG GLU 35 2HG GLU 35 -2.837 -3.062 2.364 260 2HG GLU 35 1HG GLU 35 -2.430 -2.787 4.058 261 H GLU 36 H GLU 36 -0.449 -2.130 3.554 262 HA GLU 36 HA GLU 36 0.008 -1.595 6.265 263 1HB GLU 36 2HB GLU 36 1.922 -2.776 4.237 264 2HB GLU 36 1HB GLU 36 2.139 -2.836 5.979 265 1HG GLU 36 2HG GLU 36 -0.144 -4.093 4.470 266 2HG GLU 36 1HG GLU 36 1.294 -4.938 5.035 267 H ALA 37 H ALA 37 1.772 -0.493 3.378 268 HA ALA 37 HA ALA 37 3.694 1.059 4.701 269 1HB ALA 37 1HB ALA 37 2.505 1.486 1.960 270 2HB ALA 37 2HB ALA 37 3.884 0.455 2.344 271 3HB ALA 37 3HB ALA 37 4.000 2.201 2.558 272 H ILE 38 H ILE 38 0.433 1.840 3.594 273 HA ILE 38 HA ILE 38 0.464 4.598 4.100 274 HB ILE 38 HB ILE 38 -1.845 2.650 4.213 275 1HG1 ILE 38 2HG1 ILE 38 -0.785 2.793 2.010 276 2HG1 ILE 38 1HG1 ILE 38 -2.380 3.536 1.976 277 1HG2 ILE 38 1HG2 ILE 38 -1.911 5.663 4.139 278 2HG2 ILE 38 2HG2 ILE 38 -2.380 4.642 5.500 279 3HG2 ILE 38 3HG2 ILE 38 -3.311 4.599 4.002 280 1HD1 ILE 38 1HD1 ILE 38 -0.798 4.858 0.716 281 2HD1 ILE 38 2HD1 ILE 38 0.255 4.982 2.125 282 3HD1 ILE 38 3HD1 ILE 38 -1.334 5.746 2.143 283 H LYS 39 H LYS 39 -0.533 1.892 6.215 284 HA LYS 39 HA LYS 39 -1.284 3.573 8.363 285 1HB LYS 39 2HB LYS 39 -1.565 1.629 9.665 286 2HB LYS 39 1HB LYS 39 -1.968 1.147 8.026 287 1HG LYS 39 2HG LYS 39 0.285 0.165 7.799 288 2HG LYS 39 1HG LYS 39 0.603 0.580 9.486 289 1HD LYS 39 2HD LYS 39 -1.383 -0.793 10.118 290 2HD LYS 39 1HD LYS 39 -1.500 -1.308 8.432 291 1HE LYS 39 2HE LYS 39 -0.312 -3.006 9.606 292 2HE LYS 39 1HE LYS 39 0.861 -2.134 8.620 293 1HZ LYS 39 1HZ LYS 39 0.413 -1.834 11.541 294 2HZ LYS 39 2HZ LYS 39 1.429 -0.826 10.635 295 3HZ LYS 39 3HZ LYS 39 1.783 -2.475 10.781 296 H LEU 40 H LEU 40 1.784 2.037 7.502 297 HA LEU 40 HA LEU 40 3.229 2.792 9.767 298 1HB LEU 40 2HB LEU 40 3.883 2.074 6.980 299 2HB LEU 40 1HB LEU 40 5.104 2.982 7.841 300 HG LEU 40 HG LEU 40 4.844 1.198 9.664 301 1HD1 LEU 40 1HD1 LEU 40 2.829 0.146 8.866 302 2HD1 LEU 40 2HD1 LEU 40 4.162 -1.008 8.872 303 3HD1 LEU 40 3HD1 LEU 40 3.630 -0.284 7.354 304 1HD2 LEU 40 1HD2 LEU 40 6.433 -0.300 8.500 305 2HD2 LEU 40 2HD2 LEU 40 6.852 1.407 8.359 306 3HD2 LEU 40 3HD2 LEU 40 6.097 0.570 7.002 307 H LEU 41 H LEU 41 2.824 4.506 6.663 308 HA LEU 41 HA LEU 41 4.383 6.730 7.297 309 1HB LEU 41 2HB LEU 41 2.027 6.455 5.443 310 2HB LEU 41 1HB LEU 41 3.018 7.899 5.533 311 HG LEU 41 HG LEU 41 3.989 5.152 4.731 312 1HD1 LEU 41 1HD1 LEU 41 2.556 6.187 3.044 313 2HD1 LEU 41 2HD1 LEU 41 4.237 6.145 2.512 314 3HD1 LEU 41 3HD1 LEU 41 3.536 7.651 3.103 315 1HD2 LEU 41 1HD2 LEU 41 5.410 7.810 4.830 316 2HD2 LEU 41 2HD2 LEU 41 6.066 6.324 4.146 317 3HD2 LEU 41 3HD2 LEU 41 5.718 6.422 5.873 318 H VAL 42 H VAL 42 0.953 6.122 7.908 319 HA VAL 42 HA VAL 42 0.272 8.681 8.836 320 HB VAL 42 HB VAL 42 -0.873 6.014 9.684 321 1HG1 VAL 42 1HG1 VAL 42 -2.850 7.276 10.368 322 2HG1 VAL 42 2HG1 VAL 42 -2.030 8.785 9.971 323 3HG1 VAL 42 3HG1 VAL 42 -1.430 7.774 11.286 324 1HG2 VAL 42 1HG2 VAL 42 -1.031 6.396 7.286 325 2HG2 VAL 42 2HG2 VAL 42 -1.773 7.970 7.576 326 3HG2 VAL 42 3HG2 VAL 42 -2.620 6.496 8.043 327 H ILE 43 H ILE 43 1.580 5.866 10.552 328 HA ILE 43 HA ILE 43 1.562 7.148 13.107 329 HB ILE 43 HB ILE 43 3.065 4.693 12.176 330 1HG1 ILE 43 2HG1 ILE 43 0.475 4.995 13.721 331 2HG1 ILE 43 1HG1 ILE 43 0.617 4.489 12.041 332 1HG2 ILE 43 1HG2 ILE 43 4.127 5.681 14.134 333 2HG2 ILE 43 2HG2 ILE 43 3.322 4.169 14.556 334 3HG2 ILE 43 3HG2 ILE 43 2.576 5.713 14.973 335 1HD1 ILE 43 1HD1 ILE 43 0.230 2.596 13.516 336 2HD1 ILE 43 2HD1 ILE 43 1.691 2.992 14.422 337 3HD1 ILE 43 3HD1 ILE 43 1.807 2.482 12.737 338 H GLU 44 H GLU 44 3.963 6.705 10.553 339 HA GLU 44 HA GLU 44 6.219 7.654 11.910 340 1HB GLU 44 2HB GLU 44 5.506 7.842 8.979 341 2HB GLU 44 1HB GLU 44 7.089 8.228 9.635 342 1HG GLU 44 2HG GLU 44 5.747 5.542 9.834 343 2HG GLU 44 1HG GLU 44 6.971 5.982 8.645 344 H ASN 45 H ASN 45 3.881 9.436 9.890 345 HA ASN 45 HA ASN 45 5.059 11.982 10.544 346 1HB ASN 45 2HB ASN 45 2.509 11.215 9.116 347 2HB ASN 45 1HB ASN 45 2.981 12.884 9.400 348 1HD2 ASN 45 1HD2 ASN 45 3.574 10.008 7.583 349 2HD2 ASN 45 2HD2 ASN 45 4.656 10.720 6.435 350 H ASN 46 H ASN 46 2.968 9.860 12.059 351 HA ASN 46 HA ASN 46 1.578 9.921 13.831 352 1HB ASN 46 2HB ASN 46 3.532 10.797 14.992 353 2HB ASN 46 1HB ASN 46 3.138 12.431 14.474 354 1HD2 ASN 46 1HD2 ASN 46 3.081 13.126 16.607 355 2HD2 ASN 46 2HD2 ASN 46 1.753 12.767 17.654 356 H LEU 47 H LEU 47 -0.076 10.274 12.196 357 HA LEU 47 HA LEU 47 -1.303 12.923 12.271 358 1HB LEU 47 2HB LEU 47 -2.057 10.457 10.703 359 2HB LEU 47 1HB LEU 47 -2.810 12.027 10.553 360 HG LEU 47 HG LEU 47 0.060 11.401 9.866 361 1HD1 LEU 47 1HD1 LEU 47 -0.647 11.723 7.558 362 2HD1 LEU 47 2HD1 LEU 47 -2.311 11.956 8.092 363 3HD1 LEU 47 3HD1 LEU 47 -1.525 10.391 8.311 364 1HD2 LEU 47 1HD2 LEU 47 -0.208 13.693 10.640 365 2HD2 LEU 47 2HD2 LEU 47 -1.550 13.929 9.520 366 3HD2 LEU 47 3HD2 LEU 47 0.079 13.655 8.900 367 H LYS 48 H LYS 48 -2.232 13.101 14.240 368 HA LYS 48 HA LYS 48 -3.553 10.933 15.536 369 1HB LYS 48 2HB LYS 48 -2.409 12.937 16.621 370 2HB LYS 48 1HB LYS 48 -3.858 13.851 16.226 371 1HG LYS 48 2HG LYS 48 -5.194 12.518 17.655 372 2HG LYS 48 1HG LYS 48 -3.902 11.331 17.861 373 1HD LYS 48 2HD LYS 48 -2.535 13.048 18.981 374 2HD LYS 48 1HD LYS 48 -3.867 14.195 18.817 375 1HE LYS 48 2HE LYS 48 -5.258 12.886 20.252 376 2HE LYS 48 1HE LYS 48 -4.089 11.565 20.267 377 1HZ LYS 48 1HZ LYS 48 -3.615 14.280 21.387 378 2HZ LYS 48 2HZ LYS 48 -2.537 12.970 21.442 379 3HZ LYS 48 3HZ LYS 48 -3.998 12.901 22.295 380 H GLU 49 H GLU 49 -4.495 13.197 13.188 381 HA GLU 49 HA GLU 49 -7.228 13.470 13.573 382 1HB GLU 49 2HB GLU 49 -5.683 13.190 11.000 383 2HB GLU 49 1HB GLU 49 -7.331 13.769 11.117 384 1HG GLU 49 2HG GLU 49 -4.935 15.089 12.357 385 2HG GLU 49 1HG GLU 49 -5.714 15.586 10.855 386 H ILE 50 H ILE 50 -5.370 10.802 12.239 387 HA ILE 50 HA ILE 50 -7.821 9.391 11.484 388 HB ILE 50 HB ILE 50 -4.924 8.630 11.024 389 1HG1 ILE 50 2HG1 ILE 50 -5.534 10.639 9.781 390 2HG1 ILE 50 1HG1 ILE 50 -5.375 9.278 8.676 391 1HG2 ILE 50 1HG2 ILE 50 -5.793 6.962 9.476 392 2HG2 ILE 50 2HG2 ILE 50 -7.443 7.428 9.885 393 3HG2 ILE 50 3HG2 ILE 50 -6.409 6.687 11.106 394 1HD1 ILE 50 1HD1 ILE 50 -7.990 10.309 9.747 395 2HD1 ILE 50 2HD1 ILE 50 -7.762 9.064 8.517 396 3HD1 ILE 50 3HD1 ILE 50 -7.300 10.733 8.181 397 H THR 51 H THR 51 -5.156 9.222 13.802 398 HA THR 51 HA THR 51 -5.740 6.597 14.705 399 HB THR 51 HB THR 51 -4.433 7.284 16.765 400 HG1 THR 51 1HG THR 51 -3.196 9.371 16.011 401 1HG2 THR 51 1HG2 THR 51 -2.288 7.408 15.543 402 2HG2 THR 51 2HG2 THR 51 -3.179 7.693 14.049 403 3HG2 THR 51 3HG2 THR 51 -3.357 6.160 14.899 404 H ASN 52 H ASN 52 -6.827 9.814 15.719 405 HA ASN 52 HA ASN 52 -8.434 8.854 17.876 406 1HB ASN 52 2HB ASN 52 -8.388 11.432 16.326 407 2HB ASN 52 1HB ASN 52 -9.653 11.106 17.507 408 1HD2 ASN 52 1HD2 ASN 52 -7.660 13.172 17.555 409 2HD2 ASN 52 2HD2 ASN 52 -6.763 12.940 19.020 410 H ASN 53 H ASN 53 -8.766 8.878 14.487 411 HA ASN 53 HA ASN 53 -11.631 8.655 14.408 412 1HB ASN 53 2HB ASN 53 -10.138 9.459 12.500 413 2HB ASN 53 1HB ASN 53 -9.684 7.775 12.268 414 1HD2 ASN 53 1HD2 ASN 53 -11.988 10.184 11.690 415 2HD2 ASN 53 2HD2 ASN 53 -13.130 9.209 10.841 416 H VAL 54 H VAL 54 -8.863 6.471 14.324 417 HA VAL 54 HA VAL 54 -10.546 4.107 14.185 418 HB VAL 54 HB VAL 54 -7.572 4.145 14.711 419 1HG1 VAL 54 1HG1 VAL 54 -7.644 1.966 13.550 420 2HG1 VAL 54 2HG1 VAL 54 -9.399 2.109 13.448 421 3HG1 VAL 54 3HG1 VAL 54 -8.614 1.995 15.023 422 1HG2 VAL 54 1HG2 VAL 54 -7.211 3.977 12.293 423 2HG2 VAL 54 2HG2 VAL 54 -7.952 5.515 12.740 424 3HG2 VAL 54 3HG2 VAL 54 -8.934 4.237 12.023 425 H LYS 55 H LYS 55 -10.129 6.186 16.536 426 HA LYS 55 HA LYS 55 -9.049 4.799 18.733 427 1HB LYS 55 2HB LYS 55 -9.943 7.348 18.286 428 2HB LYS 55 1HB LYS 55 -11.200 6.720 19.340 429 1HG LYS 55 2HG LYS 55 -9.525 7.841 20.651 430 2HG LYS 55 1HG LYS 55 -9.471 6.109 20.991 431 1HD LYS 55 2HD LYS 55 -7.531 5.830 19.626 432 2HD LYS 55 1HD LYS 55 -7.660 7.476 19.008 433 1HE LYS 55 2HE LYS 55 -7.134 6.747 21.886 434 2HE LYS 55 1HE LYS 55 -5.892 7.197 20.721 435 1HZ LYS 55 1HZ LYS 55 -8.092 8.903 21.763 436 2HZ LYS 55 2HZ LYS 55 -7.113 9.348 20.453 437 3HZ LYS 55 3HZ LYS 55 -6.423 9.117 21.983 438 H ASN 56 H ASN 56 -11.993 4.418 17.094 439 HA ASN 56 HA ASN 56 -13.605 3.336 19.156 440 1HB ASN 56 2HB ASN 56 -14.559 4.038 17.010 441 2HB ASN 56 1HB ASN 56 -13.622 2.808 16.173 442 1HD2 ASN 56 1HD2 ASN 56 -16.438 3.480 18.030 443 2HD2 ASN 56 2HD2 ASN 56 -17.134 1.888 17.935 444 H LYS 57 H LYS 57 -11.474 1.858 16.755 445 HA LYS 57 HA LYS 57 -11.634 -0.698 18.147 446 1HB LYS 57 2HB LYS 57 -11.182 0.167 15.349 447 2HB LYS 57 1HB LYS 57 -10.304 -1.243 15.886 448 1HG LYS 57 2HG LYS 57 -12.625 -2.077 16.676 449 2HG LYS 57 1HG LYS 57 -13.235 -0.858 15.555 450 1HD LYS 57 2HD LYS 57 -12.000 -1.860 13.730 451 2HD LYS 57 1HD LYS 57 -11.264 -3.025 14.832 452 1HE LYS 57 2HE LYS 57 -13.575 -3.856 15.340 453 2HE LYS 57 1HE LYS 57 -14.159 -2.823 14.034 454 1HZ LYS 57 1HZ LYS 57 -12.651 -4.018 12.523 455 2HZ LYS 57 2HZ LYS 57 -13.817 -5.035 13.218 456 3HZ LYS 57 3HZ LYS 57 -12.222 -5.058 13.791 457 H GLY 58 H GLY 58 -9.405 -1.918 17.375 458 1HA GLY 58 2HA GLY 58 -7.127 -0.121 17.953 459 2HA GLY 58 1HA GLY 58 -7.199 -1.780 18.544 460 H ARG 59 H ARG 59 -8.619 -1.327 15.528 461 HA ARG 59 HA ARG 59 -6.227 -2.051 14.027 462 1HB ARG 59 2HB ARG 59 -7.247 -4.187 14.723 463 2HB ARG 59 1HB ARG 59 -8.779 -3.682 14.031 464 1HG ARG 59 2HG ARG 59 -7.877 -3.746 11.814 465 2HG ARG 59 1HG ARG 59 -6.252 -4.044 12.435 466 1HD ARG 59 2HD ARG 59 -6.939 -6.195 13.298 467 2HD ARG 59 1HD ARG 59 -8.609 -5.886 12.823 468 HE ARG 59 HE ARG 59 -7.788 -5.907 10.483 469 1HH1 ARG 59 1HH1 ARG 59 -5.874 -7.460 12.965 470 2HH1 ARG 59 2HH1 ARG 59 -5.165 -8.615 11.882 471 1HH2 ARG 59 1HH2 ARG 59 -6.870 -7.404 9.049 472 2HH2 ARG 59 2HH2 ARG 59 -5.726 -8.581 9.641 473 H TRP 60 H TRP 60 -6.388 -1.566 11.829 474 HA TRP 60 HA TRP 60 -7.969 0.729 11.294 475 1HB TRP 60 2HB TRP 60 -6.199 -0.889 9.450 476 2HB TRP 60 1HB TRP 60 -6.841 0.712 9.103 477 HD1 TRP 60 HD TRP 60 -4.473 -0.985 11.664 478 HE1 TRP 60 1HE TRP 60 -2.711 0.745 12.392 479 HE3 TRP 60 3HE TRP 60 -6.239 3.080 9.110 480 HZ2 TRP 60 2HZ TRP 60 -2.147 3.473 11.931 481 HZ3 TRP 60 3HZ TRP 60 -5.024 5.212 9.306 482 HH2 TRP 60 HH TRP 60 -3.021 5.404 10.687 483 H LYS 61 H LYS 61 -9.290 1.027 9.388 484 HA LYS 61 HA LYS 61 -10.505 -1.370 8.262 485 1HB LYS 61 2HB LYS 61 -12.773 -0.157 8.408 486 2HB LYS 61 1HB LYS 61 -12.159 -0.949 9.849 487 1HG LYS 61 2HG LYS 61 -11.395 1.211 10.713 488 2HG LYS 61 1HG LYS 61 -12.030 2.005 9.266 489 1HD LYS 61 2HD LYS 61 -14.263 1.451 9.830 490 2HD LYS 61 1HD LYS 61 -13.744 0.309 11.068 491 1HE LYS 61 2HE LYS 61 -14.560 2.281 12.152 492 2HE LYS 61 1HE LYS 61 -12.813 2.214 12.360 493 1HZ LYS 61 1HZ LYS 61 -12.561 3.841 10.603 494 2HZ LYS 61 2HZ LYS 61 -13.591 4.440 11.811 495 3HZ LYS 61 3HZ LYS 61 -14.239 3.878 10.351 496 H SER 62 H SER 62 -11.891 -0.809 6.347 497 HA SER 62 HA SER 62 -10.236 0.133 4.384 498 1HB SER 62 2HB SER 62 -13.242 0.139 4.218 499 2HB SER 62 1HB SER 62 -12.098 -0.086 2.897 500 HG SER 62 HG SER 62 -13.086 -2.057 3.798 501 H GLU 63 H GLU 63 -12.931 1.909 5.878 502 HA GLU 63 HA GLU 63 -12.871 4.141 4.209 503 1HB GLU 63 2HB GLU 63 -14.059 5.282 6.095 504 2HB GLU 63 1HB GLU 63 -14.758 3.744 5.604 505 1HG GLU 63 2HG GLU 63 -13.483 2.687 7.495 506 2HG GLU 63 1HG GLU 63 -13.089 4.320 8.035 507 H ASN 64 H ASN 64 -10.914 3.398 7.025 508 HA ASN 64 HA ASN 64 -9.965 6.054 7.412 509 1HB ASN 64 2HB ASN 64 -9.156 3.359 8.465 510 2HB ASN 64 1HB ASN 64 -8.207 4.795 8.810 511 1HD2 ASN 64 1HD2 ASN 64 -9.085 6.418 10.097 512 2HD2 ASN 64 2HD2 ASN 64 -10.487 6.158 11.075 513 H LEU 65 H LEU 65 -8.922 3.278 5.582 514 HA LEU 65 HA LEU 65 -6.228 4.009 5.219 515 1HB LEU 65 2HB LEU 65 -8.009 2.381 3.402 516 2HB LEU 65 1HB LEU 65 -6.258 2.426 3.341 517 HG LEU 65 HG LEU 65 -7.885 1.374 5.661 518 1HD1 LEU 65 1HD1 LEU 65 -7.114 -0.822 4.949 519 2HD1 LEU 65 2HD1 LEU 65 -6.293 -0.098 3.566 520 3HD1 LEU 65 3HD1 LEU 65 -8.053 -0.045 3.675 521 1HD2 LEU 65 1HD2 LEU 65 -5.723 0.534 6.473 522 2HD2 LEU 65 2HD2 LEU 65 -5.755 2.295 6.379 523 3HD2 LEU 65 3HD2 LEU 65 -4.913 1.362 5.143 524 H PHE 66 H PHE 66 -9.145 4.718 3.384 525 HA PHE 66 HA PHE 66 -7.836 5.987 1.209 526 1HB PHE 66 2HB PHE 66 -10.144 5.033 1.140 527 2HB PHE 66 1HB PHE 66 -10.685 6.367 2.151 528 HD1 PHE 66 2HD PHE 66 -9.277 5.495 -1.143 529 HD2 PHE 66 1HD PHE 66 -11.162 8.484 1.221 530 HE1 PHE 66 2HE PHE 66 -9.657 6.845 -3.163 531 HE2 PHE 66 1HE PHE 66 -11.542 9.844 -0.793 532 HZ PHE 66 HZ PHE 66 -10.789 9.023 -2.989 533 H LYS 67 H LYS 67 -9.405 7.214 4.147 534 HA LYS 67 HA LYS 67 -9.106 9.961 3.555 535 1HB LYS 67 2HB LYS 67 -10.545 8.783 5.364 536 2HB LYS 67 1HB LYS 67 -9.104 8.876 6.354 537 1HG LYS 67 2HG LYS 67 -9.062 11.301 6.098 538 2HG LYS 67 1HG LYS 67 -10.516 11.223 5.104 539 1HD LYS 67 2HD LYS 67 -11.752 10.282 6.997 540 2HD LYS 67 1HD LYS 67 -10.295 10.360 7.988 541 1HE LYS 67 2HE LYS 67 -10.240 12.793 7.712 542 2HE LYS 67 1HE LYS 67 -11.700 12.713 6.727 543 1HZ LYS 67 1HZ LYS 67 -12.197 13.333 9.006 544 2HZ LYS 67 2HZ LYS 67 -11.489 11.905 9.581 545 3HZ LYS 67 3HZ LYS 67 -12.895 11.832 8.632 546 H ALA 68 H ALA 68 -7.229 7.745 5.539 547 HA ALA 68 HA ALA 68 -5.257 9.490 6.436 548 1HB ALA 68 1HB ALA 68 -4.943 6.568 5.765 549 2HB ALA 68 2HB ALA 68 -5.533 7.222 7.293 550 3HB ALA 68 3HB ALA 68 -3.868 7.518 6.792 551 H SER 69 H SER 69 -5.388 7.619 3.427 552 HA SER 69 HA SER 69 -2.795 8.292 2.542 553 1HB SER 69 2HB SER 69 -4.105 6.384 1.657 554 2HB SER 69 1HB SER 69 -5.198 7.525 0.873 555 HG SER 69 HG SER 69 -2.655 8.115 0.245 556 H LYS 70 H LYS 70 -5.883 9.920 2.304 557 HA LYS 70 HA LYS 70 -5.244 11.794 0.301 558 1HB LYS 70 2HB LYS 70 -7.521 11.306 1.390 559 2HB LYS 70 1HB LYS 70 -7.006 12.382 2.673 560 1HG LYS 70 2HG LYS 70 -6.651 14.149 0.935 561 2HG LYS 70 1HG LYS 70 -7.424 13.067 -0.225 562 1HD LYS 70 2HD LYS 70 -9.429 13.011 1.227 563 2HD LYS 70 1HD LYS 70 -8.651 14.178 2.299 564 1HE LYS 70 2HE LYS 70 -8.472 15.730 0.346 565 2HE LYS 70 1HE LYS 70 -9.441 14.586 -0.581 566 1HZ LYS 70 1HZ LYS 70 -11.186 14.843 1.165 567 2HZ LYS 70 2HZ LYS 70 -10.889 16.250 0.270 568 3HZ LYS 70 3HZ LYS 70 -10.265 16.098 1.837 569 H LEU 71 H LEU 71 -5.065 11.946 3.813 570 HA LEU 71 HA LEU 71 -3.977 14.510 4.070 571 1HB LEU 71 2HB LEU 71 -3.613 12.107 5.860 572 2HB LEU 71 1HB LEU 71 -3.202 13.754 6.300 573 HG LEU 71 HG LEU 71 -5.977 12.727 5.691 574 1HD1 LEU 71 1HD1 LEU 71 -4.701 13.588 8.284 575 2HD1 LEU 71 2HD1 LEU 71 -5.109 11.935 7.823 576 3HD1 LEU 71 3HD1 LEU 71 -6.388 13.124 8.064 577 1HD2 LEU 71 1HD2 LEU 71 -6.728 14.944 6.432 578 2HD2 LEU 71 2HD2 LEU 71 -5.719 15.045 4.988 579 3HD2 LEU 71 3HD2 LEU 71 -5.046 15.465 6.561 580 H LEU 72 H LEU 72 -2.454 11.433 3.398 581 HA LEU 72 HA LEU 72 0.216 12.238 3.918 582 1HB LEU 72 2HB LEU 72 -0.858 10.013 2.189 583 2HB LEU 72 1HB LEU 72 0.831 10.211 2.622 584 HG LEU 72 HG LEU 72 -1.422 9.704 4.570 585 1HD1 LEU 72 1HD1 LEU 72 0.775 7.884 3.590 586 2HD1 LEU 72 2HD1 LEU 72 -0.935 7.758 3.173 587 3HD1 LEU 72 3HD1 LEU 72 -0.411 7.500 4.838 588 1HD2 LEU 72 1HD2 LEU 72 0.364 11.031 5.558 589 2HD2 LEU 72 2HD2 LEU 72 1.561 9.865 4.990 590 3HD2 LEU 72 3HD2 LEU 72 0.375 9.388 6.203 591 H ARG 73 H ARG 73 -1.833 13.330 1.558 592 HA ARG 73 HA ARG 73 -0.142 13.529 -0.697 593 1HB ARG 73 2HB ARG 73 -2.582 13.998 -0.730 594 2HB ARG 73 1HB ARG 73 -2.293 15.468 0.188 595 1HG ARG 73 2HG ARG 73 -0.956 16.359 -1.643 596 2HG ARG 73 1HG ARG 73 -1.215 14.872 -2.554 597 1HD ARG 73 2HD ARG 73 -2.794 16.346 -3.424 598 2HD ARG 73 1HD ARG 73 -3.703 15.346 -2.295 599 HE ARG 73 HE ARG 73 -3.097 17.415 -0.743 600 1HH1 ARG 73 1HH1 ARG 73 -4.297 17.327 -4.034 601 2HH1 ARG 73 2HH1 ARG 73 -5.153 18.833 -3.893 602 1HH2 ARG 73 1HH2 ARG 73 -4.211 19.407 -0.552 603 2HH2 ARG 73 2HH2 ARG 73 -5.107 20.023 -1.915 604 H SER 74 H SER 74 -0.331 15.265 2.292 605 HA SER 74 HA SER 74 1.206 17.527 1.657 606 1HB SER 74 2HB SER 74 -0.117 17.200 3.760 607 2HB SER 74 1HB SER 74 1.121 16.073 4.313 608 HG SER 74 HG SER 74 1.149 18.543 4.817 609 H ASN 75 H ASN 75 2.106 14.210 2.273 610 HA ASN 75 HA ASN 75 4.908 14.742 2.569 611 1HB ASN 75 2HB ASN 75 3.306 12.225 2.098 612 2HB ASN 75 1HB ASN 75 5.049 12.236 2.246 613 1HD2 ASN 75 1HD2 ASN 75 5.024 14.342 4.311 614 2HD2 ASN 75 2HD2 ASN 75 4.483 13.551 5.753 615 H ASN 76 H ASN 76 2.929 13.127 0.101 616 HA ASN 76 HA ASN 76 4.373 14.489 -2.011 617 1HB ASN 76 2HB ASN 76 5.730 12.459 -1.701 618 2HB ASN 76 1HB ASN 76 4.293 11.458 -1.876 619 1HD2 ASN 76 1HD2 ASN 76 5.223 10.373 -3.637 620 2HD2 ASN 76 2HD2 ASN 76 5.352 11.106 -5.205 621 H THR 77 H THR 77 3.101 14.819 -3.782 622 HA THR 77 HA THR 77 0.326 14.701 -3.416 623 HB THR 77 HB THR 77 1.675 15.003 -6.087 624 HG1 THR 77 1HG THR 77 1.458 16.843 -3.914 625 1HG2 THR 77 1HG2 THR 77 -0.831 16.219 -4.915 626 2HG2 THR 77 2HG2 THR 77 -0.775 14.926 -6.112 627 3HG2 THR 77 3HG2 THR 77 -0.192 16.539 -6.526 628 H GLU 78 H GLU 78 2.525 12.434 -4.868 629 HA GLU 78 HA GLU 78 0.623 11.089 -6.493 630 1HB GLU 78 2HB GLU 78 3.293 10.145 -5.463 631 2HB GLU 78 1HB GLU 78 2.378 9.416 -6.765 632 1HG GLU 78 2HG GLU 78 2.651 11.404 -8.118 633 2HG GLU 78 1HG GLU 78 3.508 12.199 -6.795 634 H ILE 79 H ILE 79 1.398 10.901 -3.130 635 HA ILE 79 HA ILE 79 1.220 8.183 -2.621 636 HB ILE 79 HB ILE 79 0.334 10.400 -0.775 637 1HG1 ILE 79 2HG1 ILE 79 2.644 10.708 -1.507 638 2HG1 ILE 79 1HG1 ILE 79 2.603 10.207 0.181 639 1HG2 ILE 79 1HG2 ILE 79 -0.507 8.241 -0.048 640 2HG2 ILE 79 2HG2 ILE 79 0.770 8.804 1.029 641 3HG2 ILE 79 3HG2 ILE 79 1.112 7.551 -0.162 642 1HD1 ILE 79 1HD1 ILE 79 3.231 8.456 -2.182 643 2HD1 ILE 79 2HD1 ILE 79 3.147 7.921 -0.505 644 3HD1 ILE 79 3HD1 ILE 79 4.383 9.078 -0.999 645 HA PRO 80 HA PRO 80 -3.556 8.559 -1.686 646 1HB PRO 80 2HB PRO 80 -4.798 10.698 -2.888 647 2HB PRO 80 1HB PRO 80 -4.293 10.659 -1.197 648 1HG PRO 80 2HG PRO 80 -2.920 11.875 -3.558 649 2HG PRO 80 1HG PRO 80 -3.107 12.522 -1.914 650 1HD PRO 80 2HD PRO 80 -0.811 11.404 -2.734 651 2HD PRO 80 1HD PRO 80 -1.398 11.199 -1.071 652 H ILE 81 H ILE 81 -2.164 9.698 -4.686 653 HA ILE 81 HA ILE 81 -4.260 8.754 -6.388 654 HB ILE 81 HB ILE 81 -1.375 9.311 -7.122 655 1HG1 ILE 81 2HG1 ILE 81 -2.347 11.272 -6.006 656 2HG1 ILE 81 1HG1 ILE 81 -2.106 11.580 -7.721 657 1HG2 ILE 81 1HG2 ILE 81 -2.614 8.076 -8.821 658 2HG2 ILE 81 2HG2 ILE 81 -2.250 9.711 -9.365 659 3HG2 ILE 81 3HG2 ILE 81 -3.877 9.309 -8.814 660 1HD1 ILE 81 1HD1 ILE 81 -4.478 11.173 -8.122 661 2HD1 ILE 81 2HD1 ILE 81 -4.210 12.486 -6.973 662 3HD1 ILE 81 3HD1 ILE 81 -4.709 10.897 -6.395 663 H LEU 82 H LEU 82 -1.053 7.558 -5.476 664 HA LEU 82 HA LEU 82 -1.078 5.197 -6.999 665 1HB LEU 82 2HB LEU 82 0.272 5.673 -4.339 666 2HB LEU 82 1HB LEU 82 0.680 4.420 -5.495 667 HG LEU 82 HG LEU 82 0.988 7.389 -5.942 668 1HD1 LEU 82 1HD1 LEU 82 3.027 5.227 -5.447 669 2HD1 LEU 82 2HD1 LEU 82 2.604 6.543 -4.353 670 3HD1 LEU 82 3HD1 LEU 82 3.391 6.897 -5.892 671 1HD2 LEU 82 1HD2 LEU 82 1.824 5.076 -7.684 672 2HD2 LEU 82 2HD2 LEU 82 2.087 6.789 -8.011 673 3HD2 LEU 82 3HD2 LEU 82 0.450 6.137 -7.991 674 H TRP 83 H TRP 83 -2.098 5.875 -3.684 675 HA TRP 83 HA TRP 83 -2.889 3.284 -2.976 676 1HB TRP 83 2HB TRP 83 -2.701 4.972 -1.270 677 2HB TRP 83 1HB TRP 83 -3.926 5.969 -2.049 678 HD1 TRP 83 HD TRP 83 -6.201 5.817 -0.902 679 HE1 TRP 83 1HE TRP 83 -7.474 4.041 0.459 680 HE3 TRP 83 3HE TRP 83 -2.760 2.049 -1.071 681 HZ2 TRP 83 2HZ TRP 83 -7.070 1.387 1.343 682 HZ3 TRP 83 3HZ TRP 83 -3.275 -0.071 0.049 683 HH2 TRP 83 HH TRP 83 -5.388 -0.396 1.233 684 H LYS 84 H LYS 84 -4.814 5.949 -4.368 685 HA LYS 84 HA LYS 84 -7.261 4.587 -4.373 686 1HB LYS 84 2HB LYS 84 -6.837 7.080 -4.769 687 2HB LYS 84 1HB LYS 84 -6.474 6.645 -6.431 688 1HG LYS 84 2HG LYS 84 -8.635 6.076 -6.922 689 2HG LYS 84 1HG LYS 84 -9.039 5.714 -5.245 690 1HD LYS 84 2HD LYS 84 -10.170 7.734 -5.967 691 2HD LYS 84 1HD LYS 84 -8.976 8.114 -4.728 692 1HE LYS 84 2HE LYS 84 -7.430 8.899 -6.425 693 2HE LYS 84 1HE LYS 84 -8.563 8.437 -7.696 694 1HZ LYS 84 1HZ LYS 84 -10.131 10.058 -6.875 695 2HZ LYS 84 2HZ LYS 84 -8.645 10.818 -7.189 696 3HZ LYS 84 3HZ LYS 84 -9.101 10.468 -5.593 697 H SER 85 H SER 85 -4.661 4.665 -6.724 698 HA SER 85 HA SER 85 -6.028 3.271 -8.775 699 1HB SER 85 2HB SER 85 -3.050 3.422 -8.253 700 2HB SER 85 1HB SER 85 -3.823 2.990 -9.779 701 HG SER 85 HG SER 85 -3.561 5.486 -8.547 702 H ALA 86 H ALA 86 -3.949 2.191 -6.114 703 HA ALA 86 HA ALA 86 -4.022 -0.573 -6.828 704 1HB ALA 86 1HB ALA 86 -3.082 -0.966 -4.608 705 2HB ALA 86 2HB ALA 86 -3.430 0.701 -4.156 706 3HB ALA 86 3HB ALA 86 -2.246 0.359 -5.419 707 H TRP 87 H TRP 87 -5.866 1.483 -4.650 708 HA TRP 87 HA TRP 87 -7.482 -0.394 -3.398 709 1HB TRP 87 2HB TRP 87 -7.384 1.987 -2.781 710 2HB TRP 87 1HB TRP 87 -8.166 2.418 -4.289 711 HD1 TRP 87 HD TRP 87 -10.659 2.773 -4.134 712 HE1 TRP 87 1HE TRP 87 -12.538 2.147 -2.482 713 HE3 TRP 87 3HE TRP 87 -7.951 -0.141 -0.945 714 HZ2 TRP 87 2HZ TRP 87 -12.811 0.610 -0.135 715 HZ3 TRP 87 3HZ TRP 87 -9.094 -1.151 0.987 716 HH2 TRP 87 HH TRP 87 -11.473 -0.781 1.383 717 H THR 88 H THR 88 -7.767 1.105 -6.567 718 HA THR 88 HA THR 88 -10.343 0.359 -7.272 719 HB THR 88 HB THR 88 -7.927 0.494 -9.092 720 HG1 THR 88 1HG THR 88 -8.684 2.408 -7.702 721 1HG2 THR 88 1HG2 THR 88 -9.826 -0.626 -10.149 722 2HG2 THR 88 2HG2 THR 88 -9.561 0.964 -10.862 723 3HG2 THR 88 3HG2 THR 88 -10.877 0.722 -9.714 724 H LEU 89 H LEU 89 -7.325 -1.489 -7.541 725 HA LEU 89 HA LEU 89 -8.391 -3.651 -9.003 726 1HB LEU 89 2HB LEU 89 -6.011 -3.541 -7.153 727 2HB LEU 89 1HB LEU 89 -6.389 -4.897 -8.196 728 HG LEU 89 HG LEU 89 -5.691 -2.104 -9.108 729 1HD1 LEU 89 1HD1 LEU 89 -3.661 -3.142 -9.968 730 2HD1 LEU 89 2HD1 LEU 89 -4.162 -4.696 -9.300 731 3HD1 LEU 89 3HD1 LEU 89 -3.787 -3.352 -8.221 732 1HD2 LEU 89 1HD2 LEU 89 -5.704 -3.063 -11.363 733 2HD2 LEU 89 2HD2 LEU 89 -7.297 -3.153 -10.611 734 3HD2 LEU 89 3HD2 LEU 89 -6.284 -4.594 -10.708 735 H HIS 90 H HIS 90 -8.024 -3.115 -5.523 736 HA HIS 90 HA HIS 90 -8.919 -5.707 -4.774 737 1HB HIS 90 2HB HIS 90 -7.578 -4.263 -3.280 738 2HB HIS 90 1HB HIS 90 -8.933 -3.147 -3.155 739 HD1 HIS 90 1HD HIS 90 -7.835 -6.605 -2.074 740 HD2 HIS 90 2HD HIS 90 -10.898 -3.867 -1.332 741 HE1 HIS 90 1HE HIS 90 -9.098 -7.501 -0.093 742 HE2 HIS 90 2HE HIS 90 -10.839 -5.755 0.439 743 H VAL 91 H VAL 91 -10.531 -2.747 -5.635 744 HA VAL 91 HA VAL 91 -13.082 -3.436 -4.558 745 HB VAL 91 HB VAL 91 -12.328 -1.459 -6.716 746 1HG1 VAL 91 1HG1 VAL 91 -14.979 -1.795 -5.318 747 2HG1 VAL 91 2HG1 VAL 91 -14.649 -2.181 -7.007 748 3HG1 VAL 91 3HG1 VAL 91 -14.559 -0.510 -6.449 749 1HG2 VAL 91 1HG2 VAL 91 -11.439 -0.894 -4.532 750 2HG2 VAL 91 2HG2 VAL 91 -13.032 -1.099 -3.806 751 3HG2 VAL 91 3HG2 VAL 91 -12.749 0.208 -4.955 752 H GLU 92 H GLU 92 -11.769 -3.511 -7.886 753 HA GLU 92 HA GLU 92 -14.103 -4.776 -8.919 754 1HB GLU 92 2HB GLU 92 -12.753 -5.090 -10.988 755 2HB GLU 92 1HB GLU 92 -12.801 -3.431 -10.412 756 1HG GLU 92 2HG GLU 92 -10.563 -3.749 -9.420 757 2HG GLU 92 1HG GLU 92 -10.524 -5.375 -10.104 758 H GLY 93 H GLY 93 -10.977 -5.943 -7.795 759 1HA GLY 93 2HA GLY 93 -11.272 -8.598 -8.754 760 2HA GLY 93 1HA GLY 93 -10.136 -8.061 -7.528 761 H PHE 94 H PHE 94 -12.247 -7.029 -5.765 762 HA PHE 94 HA PHE 94 -12.661 -9.388 -4.265 763 1HB PHE 94 2HB PHE 94 -12.515 -7.074 -3.309 764 2HB PHE 94 1HB PHE 94 -14.124 -6.759 -3.947 765 HD1 PHE 94 1HD PHE 94 -12.233 -8.922 -1.604 766 HD2 PHE 94 2HD PHE 94 -16.040 -7.403 -2.755 767 HE1 PHE 94 1HE PHE 94 -13.223 -9.867 0.441 768 HE2 PHE 94 2HE PHE 94 -17.034 -8.343 -0.709 769 HZ PHE 94 HZ PHE 94 -15.626 -9.578 0.890 770 H HIS 95 H HIS 95 -14.609 -7.693 -6.610 771 HA HIS 95 HA HIS 95 -16.960 -9.285 -6.047 772 1HB HIS 95 2HB HIS 95 -16.325 -7.212 -8.135 773 2HB HIS 95 1HB HIS 95 -17.792 -8.181 -8.215 774 HD1 HIS 95 1HD HIS 95 -19.459 -7.905 -6.119 775 HD2 HIS 95 2HD HIS 95 -16.469 -5.034 -6.509 776 HE1 HIS 95 1HE HIS 95 -20.182 -5.969 -4.687 777 HE2 HIS 95 2HE HIS 95 -18.476 -4.170 -5.112 778 H GLU 96 H GLU 96 -14.574 -8.992 -8.665 779 HA GLU 96 HA GLU 96 -15.193 -11.770 -9.403 780 1HB GLU 96 2HB GLU 96 -14.644 -9.540 -11.374 781 2HB GLU 96 1HB GLU 96 -14.996 -11.219 -11.765 782 1HG GLU 96 2HG GLU 96 -17.220 -10.899 -10.645 783 2HG GLU 96 1HG GLU 96 -16.847 -9.178 -10.574 784 H LEU 97 H LEU 97 -13.440 -12.971 -9.172 785 HA LEU 97 HA LEU 97 -10.856 -11.780 -8.839 786 1HB LEU 97 2HB LEU 97 -11.790 -14.644 -8.901 787 2HB LEU 97 1HB LEU 97 -10.101 -14.212 -8.739 788 HG LEU 97 HG LEU 97 -10.917 -14.704 -6.563 789 1HD1 LEU 97 1HD1 LEU 97 -10.592 -12.587 -5.382 790 2HD1 LEU 97 2HD1 LEU 97 -10.764 -11.718 -6.909 791 3HD1 LEU 97 3HD1 LEU 97 -9.408 -12.819 -6.668 792 1HD2 LEU 97 1HD2 LEU 97 -13.304 -14.485 -6.977 793 2HD2 LEU 97 2HD2 LEU 97 -13.140 -12.731 -7.066 794 3HD2 LEU 97 3HD2 LEU 97 -12.827 -13.570 -5.546 795 H SER 98 H SER 98 -10.850 -10.753 -10.983 796 HA SER 98 HA SER 98 -9.364 -12.434 -12.831 797 1HB SER 98 2HB SER 98 -11.836 -10.906 -13.685 798 2HB SER 98 1HB SER 98 -10.698 -11.681 -14.785 799 HG SER 98 HG SER 98 -11.540 -13.383 -12.842 800 H LEU 99 H LEU 99 -7.971 -10.814 -11.500 801 HA LEU 99 HA LEU 99 -7.863 -8.130 -12.438 802 1HB LEU 99 2HB LEU 99 -5.830 -9.822 -10.984 803 2HB LEU 99 1HB LEU 99 -5.638 -8.113 -11.307 804 HG LEU 99 HG LEU 99 -6.313 -8.338 -9.050 805 1HD1 LEU 99 1HD1 LEU 99 -8.699 -7.512 -10.680 806 2HD1 LEU 99 2HD1 LEU 99 -7.335 -6.487 -10.231 807 3HD1 LEU 99 3HD1 LEU 99 -8.418 -7.110 -8.986 808 1HD2 LEU 99 1HD2 LEU 99 -8.343 -9.473 -8.333 809 2HD2 LEU 99 2HD2 LEU 99 -7.225 -10.588 -9.116 810 3HD2 LEU 99 3HD2 LEU 99 -8.639 -9.997 -9.990 811 H ASN 100 H ASN 100 -6.875 -7.342 -14.209 812 HA ASN 100 HA ASN 100 -5.786 -9.260 -16.078 813 1HB ASN 100 2HB ASN 100 -6.143 -6.281 -16.381 814 2HB ASN 100 1HB ASN 100 -5.736 -7.401 -17.670 815 1HD2 ASN 100 1HD2 ASN 100 -7.304 -8.821 -18.438 816 2HD2 ASN 100 2HD2 ASN 100 -8.988 -8.609 -18.112 817 H GLU 101 H GLU 101 -3.795 -9.141 -17.070 818 HA GLU 101 HA GLU 101 -1.636 -8.877 -15.273 819 1HB GLU 101 2HB GLU 101 -1.697 -10.470 -17.163 820 2HB GLU 101 1HB GLU 101 -1.573 -9.124 -18.285 821 1HG GLU 101 2HG GLU 101 0.599 -8.534 -17.162 822 2HG GLU 101 1HG GLU 101 0.489 -10.083 -16.327 823 H LYS 102 H LYS 102 -2.768 -6.905 -17.938 824 HA LYS 102 HA LYS 102 -0.631 -5.181 -18.269 825 1HB LYS 102 2HB LYS 102 -3.130 -5.453 -19.346 826 2HB LYS 102 1HB LYS 102 -3.286 -3.933 -18.483 827 1HG LYS 102 2HG LYS 102 -1.075 -4.491 -20.435 828 2HG LYS 102 1HG LYS 102 -2.618 -3.772 -20.891 829 1HD LYS 102 2HD LYS 102 -2.203 -1.940 -19.293 830 2HD LYS 102 1HD LYS 102 -0.629 -2.651 -18.920 831 1HE LYS 102 2HE LYS 102 0.101 -2.335 -21.195 832 2HE LYS 102 1HE LYS 102 -1.501 -1.774 -21.671 833 1HZ LYS 102 1HZ LYS 102 0.412 -0.403 -19.858 834 2HZ LYS 102 2HZ LYS 102 -1.189 0.104 -20.099 835 3HZ LYS 102 3HZ LYS 102 -0.097 0.106 -21.396 836 H GLU 103 H GLU 103 -3.214 -5.087 -15.869 837 HA GLU 103 HA GLU 103 -2.399 -2.512 -14.876 838 1HB GLU 103 2HB GLU 103 -4.410 -4.514 -13.839 839 2HB GLU 103 1HB GLU 103 -4.177 -2.896 -13.207 840 1HG GLU 103 2HG GLU 103 -5.177 -3.667 -15.929 841 2HG GLU 103 1HG GLU 103 -6.073 -2.861 -14.642 842 H VAL 104 H VAL 104 -1.910 -5.882 -14.081 843 HA VAL 104 HA VAL 104 -0.964 -5.632 -11.453 844 HB VAL 104 HB VAL 104 -0.042 -7.622 -13.543 845 1HG1 VAL 104 1HG1 VAL 104 0.503 -9.056 -11.627 846 2HG1 VAL 104 2HG1 VAL 104 0.065 -7.748 -10.529 847 3HG1 VAL 104 3HG1 VAL 104 1.442 -7.563 -11.616 848 1HG2 VAL 104 1HG2 VAL 104 -2.452 -7.686 -13.315 849 2HG2 VAL 104 2HG2 VAL 104 -2.310 -7.784 -11.561 850 3HG2 VAL 104 3HG2 VAL 104 -1.740 -9.117 -12.565 851 H LYS 105 H LYS 105 0.794 -5.604 -14.537 852 HA LYS 105 HA LYS 105 3.349 -5.201 -13.385 853 1HB LYS 105 2HB LYS 105 2.371 -4.576 -16.178 854 2HB LYS 105 1HB LYS 105 4.057 -4.623 -15.681 855 1HG LYS 105 2HG LYS 105 3.811 -6.998 -15.117 856 2HG LYS 105 1HG LYS 105 2.133 -6.939 -15.657 857 1HD LYS 105 2HD LYS 105 2.885 -6.338 -17.912 858 2HD LYS 105 1HD LYS 105 4.563 -6.403 -17.368 859 1HE LYS 105 2HE LYS 105 4.256 -8.776 -16.785 860 2HE LYS 105 1HE LYS 105 2.604 -8.696 -17.395 861 1HZ LYS 105 1HZ LYS 105 4.049 -9.633 -19.050 862 2HZ LYS 105 2HZ LYS 105 5.088 -8.293 -18.975 863 3HZ LYS 105 3HZ LYS 105 3.515 -8.113 -19.587 864 H LYS 106 H LYS 106 0.820 -3.035 -14.455 865 HA LYS 106 HA LYS 106 2.304 -0.625 -14.356 866 1HB LYS 106 2HB LYS 106 0.165 -0.773 -15.524 867 2HB LYS 106 1HB LYS 106 -0.660 -1.145 -14.017 868 1HG LYS 106 2HG LYS 106 0.147 1.120 -13.193 869 2HG LYS 106 1HG LYS 106 0.567 1.455 -14.875 870 1HD LYS 106 2HD LYS 106 -2.176 0.673 -13.888 871 2HD LYS 106 1HD LYS 106 -1.662 2.317 -14.264 872 1HE LYS 106 2HE LYS 106 -1.328 1.737 -16.573 873 2HE LYS 106 1HE LYS 106 -1.654 0.037 -16.235 874 1HZ LYS 106 1HZ LYS 106 -3.915 0.557 -15.708 875 2HZ LYS 106 2HZ LYS 106 -3.557 1.237 -17.220 876 3HZ LYS 106 3HZ LYS 106 -3.627 2.226 -15.845 877 H LEU 107 H LEU 107 -0.009 -2.051 -12.062 878 HA LEU 107 HA LEU 107 0.310 -0.031 -10.130 879 1HB LEU 107 2HB LEU 107 -1.046 -2.650 -10.253 880 2HB LEU 107 1HB LEU 107 -0.656 -2.057 -8.650 881 HG LEU 107 HG LEU 107 -2.902 -1.409 -9.184 882 1HD1 LEU 107 1HD1 LEU 107 -2.747 1.021 -8.962 883 2HD1 LEU 107 2HD1 LEU 107 -1.040 0.949 -9.400 884 3HD1 LEU 107 3HD1 LEU 107 -1.599 0.190 -7.910 885 1HD2 LEU 107 1HD2 LEU 107 -2.780 -1.526 -11.615 886 2HD2 LEU 107 2HD2 LEU 107 -1.771 -0.079 -11.644 887 3HD2 LEU 107 3HD2 LEU 107 -3.443 0.023 -11.089 888 H LYS 108 H LYS 108 1.998 -3.096 -10.590 889 HA LYS 108 HA LYS 108 3.116 -3.357 -8.052 890 1HB LYS 108 2HB LYS 108 3.305 -4.987 -10.018 891 2HB LYS 108 1HB LYS 108 4.656 -3.997 -10.563 892 1HG LYS 108 2HG LYS 108 5.400 -4.373 -8.025 893 2HG LYS 108 1HG LYS 108 4.457 -5.843 -8.264 894 1HD LYS 108 2HD LYS 108 6.788 -4.916 -9.940 895 2HD LYS 108 1HD LYS 108 6.802 -6.232 -8.767 896 1HE LYS 108 2HE LYS 108 5.062 -7.374 -10.143 897 2HE LYS 108 1HE LYS 108 5.266 -6.108 -11.356 898 1HZ LYS 108 1HZ LYS 108 7.304 -8.058 -10.432 899 2HZ LYS 108 2HZ LYS 108 7.662 -6.730 -11.427 900 3HZ LYS 108 3HZ LYS 108 6.618 -7.945 -11.982 901 H GLU 109 H GLU 109 4.136 -1.368 -10.778 902 HA GLU 109 HA GLU 109 6.533 -0.497 -9.428 903 1HB GLU 109 2HB GLU 109 6.441 -0.764 -11.894 904 2HB GLU 109 1HB GLU 109 5.282 0.556 -11.971 905 1HG GLU 109 2HG GLU 109 6.886 2.138 -11.281 906 2HG GLU 109 1HG GLU 109 8.019 0.882 -10.782 907 H ASP 110 H ASP 110 3.338 0.845 -10.187 908 HA ASP 110 HA ASP 110 3.766 3.408 -9.124 909 1HB ASP 110 2HB ASP 110 1.326 1.750 -9.610 910 2HB ASP 110 1HB ASP 110 1.180 3.219 -8.652 911 H VAL 111 H VAL 111 2.605 0.441 -7.564 912 HA VAL 111 HA VAL 111 2.302 1.577 -4.989 913 HB VAL 111 HB VAL 111 2.797 -1.292 -5.812 914 1HG1 VAL 111 1HG1 VAL 111 3.506 -0.910 -3.480 915 2HG1 VAL 111 2HG1 VAL 111 2.084 -1.946 -3.593 916 3HG1 VAL 111 3HG1 VAL 111 1.906 -0.257 -3.122 917 1HG2 VAL 111 1HG2 VAL 111 0.278 0.146 -4.979 918 2HG2 VAL 111 2HG2 VAL 111 0.406 -1.564 -5.390 919 3HG2 VAL 111 3HG2 VAL 111 0.697 -0.336 -6.624 920 H ARG 112 H ARG 112 5.062 0.185 -6.689 921 HA ARG 112 HA ARG 112 6.804 0.008 -4.486 922 1HB ARG 112 2HB ARG 112 7.261 -0.998 -6.726 923 2HB ARG 112 1HB ARG 112 7.575 0.619 -7.346 924 1HG ARG 112 2HG ARG 112 9.423 0.868 -5.756 925 2HG ARG 112 1HG ARG 112 9.121 -0.765 -5.161 926 1HD ARG 112 2HD ARG 112 9.565 -1.634 -7.427 927 2HD ARG 112 1HD ARG 112 9.948 0.004 -7.956 928 HE ARG 112 HE ARG 112 11.468 -1.156 -5.728 929 1HH1 ARG 112 1HH1 ARG 112 11.362 -0.060 -9.067 930 2HH1 ARG 112 2HH1 ARG 112 13.089 -0.049 -9.248 931 1HH2 ARG 112 1HH2 ARG 112 13.742 -1.164 -5.979 932 2HH2 ARG 112 2HH2 ARG 112 14.439 -0.699 -7.506 933 H LYS 113 H LYS 113 5.931 2.672 -6.608 934 HA LYS 113 HA LYS 113 7.790 4.588 -5.799 935 1HB LYS 113 2HB LYS 113 4.908 4.868 -6.663 936 2HB LYS 113 1HB LYS 113 5.994 6.228 -6.444 937 1HG LYS 113 2HG LYS 113 7.266 5.691 -8.291 938 2HG LYS 113 1HG LYS 113 6.764 4.000 -8.272 939 1HD LYS 113 2HD LYS 113 5.767 5.264 -10.141 940 2HD LYS 113 1HD LYS 113 4.549 4.613 -9.044 941 1HE LYS 113 2HE LYS 113 3.938 6.857 -9.631 942 2HE LYS 113 1HE LYS 113 4.435 6.831 -7.941 943 1HZ LYS 113 1HZ LYS 113 6.584 7.715 -8.589 944 2HZ LYS 113 2HZ LYS 113 5.337 8.741 -9.118 945 3HZ LYS 113 3HZ LYS 113 6.121 7.715 -10.220 946 H LEU 114 H LEU 114 4.828 3.467 -4.303 947 HA LEU 114 HA LEU 114 4.754 5.465 -2.268 948 1HB LEU 114 2HB LEU 114 2.707 4.466 -2.977 949 2HB LEU 114 1HB LEU 114 3.335 2.854 -2.733 950 HG LEU 114 HG LEU 114 3.407 3.281 -0.313 951 1HD1 LEU 114 1HD1 LEU 114 3.562 5.712 -0.350 952 2HD1 LEU 114 2HD1 LEU 114 2.179 5.186 0.610 953 3HD1 LEU 114 3HD1 LEU 114 1.933 5.813 -1.020 954 1HD2 LEU 114 1HD2 LEU 114 0.996 3.091 0.042 955 2HD2 LEU 114 2HD2 LEU 114 1.524 2.114 -1.327 956 3HD2 LEU 114 3HD2 LEU 114 0.709 3.653 -1.603 957 H VAL 115 H VAL 115 5.702 2.077 -2.516 958 HA VAL 115 HA VAL 115 6.399 1.635 0.151 959 HB VAL 115 HB VAL 115 7.595 0.364 -2.318 960 1HG1 VAL 115 1HG1 VAL 115 8.215 -1.485 -0.843 961 2HG1 VAL 115 2HG1 VAL 115 7.613 -0.581 0.547 962 3HG1 VAL 115 3HG1 VAL 115 9.010 0.012 -0.354 963 1HG2 VAL 115 1HG2 VAL 115 5.326 -0.517 -0.537 964 2HG2 VAL 115 2HG2 VAL 115 5.999 -1.445 -1.877 965 3HG2 VAL 115 3HG2 VAL 115 5.179 0.085 -2.189 966 H ILE 116 H ILE 116 8.371 2.875 -2.528 967 HA ILE 116 HA ILE 116 10.841 2.988 -1.249 968 HB ILE 116 HB ILE 116 9.672 4.880 -3.302 969 1HG1 ILE 116 2HG1 ILE 116 11.604 2.564 -3.589 970 2HG1 ILE 116 1HG1 ILE 116 9.898 2.524 -4.020 971 1HG2 ILE 116 1HG2 ILE 116 11.473 6.017 -2.147 972 2HG2 ILE 116 2HG2 ILE 116 11.993 5.562 -3.771 973 3HG2 ILE 116 3HG2 ILE 116 12.532 4.625 -2.378 974 1HD1 ILE 116 1HD1 ILE 116 10.285 4.225 -5.723 975 2HD1 ILE 116 2HD1 ILE 116 11.302 2.806 -5.979 976 3HD1 ILE 116 3HD1 ILE 116 11.994 4.274 -5.288 977 H PHE 117 H PHE 117 8.062 5.118 -0.958 978 HA PHE 117 HA PHE 117 9.520 7.162 0.456 979 1HB PHE 117 2HB PHE 117 7.429 7.544 -0.946 980 2HB PHE 117 1HB PHE 117 6.521 6.823 0.377 981 HD1 PHE 117 2HD PHE 117 8.543 9.683 -0.679 982 HD2 PHE 117 1HD PHE 117 6.172 8.014 2.433 983 HE1 PHE 117 2HE PHE 117 8.465 11.878 0.428 984 HE2 PHE 117 1HE PHE 117 6.088 10.204 3.548 985 HZ PHE 117 HZ PHE 117 7.236 12.138 2.547 986 H ALA 118 H ALA 118 7.299 4.553 1.266 987 HA ALA 118 HA ALA 118 7.071 5.030 4.020 988 1HB ALA 118 1HB ALA 118 6.958 2.393 2.552 989 2HB ALA 118 2HB ALA 118 5.607 3.498 2.805 990 3HB ALA 118 3HB ALA 118 6.358 2.695 4.184 991 H VAL 119 H VAL 119 9.330 2.968 2.217 992 HA VAL 119 HA VAL 119 10.746 2.073 4.513 993 HB VAL 119 HB VAL 119 11.736 2.160 1.649 994 1HG1 VAL 119 1HG1 VAL 119 13.494 1.752 3.334 995 2HG1 VAL 119 2HG1 VAL 119 13.206 0.345 2.312 996 3HG1 VAL 119 3HG1 VAL 119 12.561 0.385 3.952 997 1HG2 VAL 119 1HG2 VAL 119 10.208 0.006 3.108 998 2HG2 VAL 119 2HG2 VAL 119 10.933 -0.163 1.510 999 3HG2 VAL 119 3HG2 VAL 119 9.618 0.984 1.763 1000 H ASN 120 H ASN 120 11.044 4.843 2.403 1001 HA ASN 120 HA ASN 120 13.629 5.702 3.094 1002 1HB ASN 120 2HB ASN 120 12.088 6.583 1.240 1003 2HB ASN 120 1HB ASN 120 11.327 7.563 2.488 1004 1HD2 ASN 120 1HD2 ASN 120 14.112 7.071 0.525 1005 2HD2 ASN 120 2HD2 ASN 120 14.901 8.567 0.883 1006 H SER 121 H SER 121 10.582 5.926 4.766 1007 HA SER 121 HA SER 121 11.344 7.953 6.614 1008 1HB SER 121 2HB SER 121 8.969 7.267 6.077 1009 2HB SER 121 1HB SER 121 9.246 5.814 7.038 1010 HG SER 121 HG SER 121 9.121 6.949 8.824 1011 H LEU 122 H LEU 122 11.814 4.508 6.432 1012 HA LEU 122 HA LEU 122 12.475 4.054 9.156 1013 1HB LEU 122 2HB LEU 122 12.990 2.576 6.600 1014 2HB LEU 122 1HB LEU 122 13.826 2.088 8.059 1015 HG LEU 122 HG LEU 122 11.618 1.738 9.155 1016 1HD1 LEU 122 1HD1 LEU 122 9.618 1.616 7.778 1017 2HD1 LEU 122 2HD1 LEU 122 10.528 2.199 6.384 1018 3HD1 LEU 122 3HD1 LEU 122 10.281 3.250 7.778 1019 1HD2 LEU 122 1HD2 LEU 122 12.858 -0.106 8.167 1020 2HD2 LEU 122 2HD2 LEU 122 12.094 0.204 6.607 1021 3HD2 LEU 122 3HD2 LEU 122 11.120 -0.336 7.973 1022 H GLU 123 H GLU 123 14.124 5.516 6.539 1023 HA GLU 123 HA GLU 123 16.786 5.192 7.542 1024 1HB GLU 123 2HB GLU 123 15.629 7.143 5.544 1025 2HB GLU 123 1HB GLU 123 17.343 6.979 5.892 1026 1HG GLU 123 2HG GLU 123 17.317 4.704 5.066 1027 2HG GLU 123 1HG GLU 123 15.580 4.816 4.772 1028 H HIS 124 H HIS 124 14.194 6.919 8.670 1029 HA HIS 124 HA HIS 124 13.898 8.661 10.112 1030 1HB HIS 124 2HB HIS 124 15.751 7.442 11.334 1031 2HB HIS 124 1HB HIS 124 16.893 8.520 10.548 1032 HD1 HIS 124 1HD HIS 124 17.600 10.358 12.014 1033 HD2 HIS 124 2HD HIS 124 13.700 9.156 12.823 1034 HE1 HIS 124 1HE HIS 124 16.851 11.753 13.965 1035 HE2 HIS 124 2HE HIS 124 14.578 10.853 14.573 1036 H HIS 125 H HIS 125 14.341 9.065 7.347 1037 HA HIS 125 HA HIS 125 16.246 11.230 7.026 1038 1HB HIS 125 2HB HIS 125 16.287 9.404 5.430 1039 2HB HIS 125 1HB HIS 125 14.593 9.665 5.036 1040 HD1 HIS 125 1HD HIS 125 14.489 10.582 2.753 1041 HD2 HIS 125 2HD HIS 125 17.639 12.207 4.934 1042 HE1 HIS 125 1HE HIS 125 15.546 12.302 1.247 1043 HE2 HIS 125 2HE HIS 125 17.533 13.168 2.536 1044 H HIS 126 H HIS 126 12.760 10.734 6.860 1045 HA HIS 126 HA HIS 126 10.996 12.107 6.479 1046 1HB HIS 126 2HB HIS 126 12.879 14.269 7.456 1047 2HB HIS 126 1HB HIS 126 11.134 14.413 7.315 1048 HD1 HIS 126 1HD HIS 126 13.778 13.401 9.610 1049 HD2 HIS 126 2HD HIS 126 9.696 12.716 9.188 1050 HE1 HIS 126 1HE HIS 126 12.996 12.535 11.842 1051 HE2 HIS 126 2HE HIS 126 10.490 12.353 11.620 1052 H HIS 127 H HIS 127 13.027 14.843 5.802 1053 HA HIS 127 HA HIS 127 13.476 14.323 3.058 1054 1HB HIS 127 2HB HIS 127 12.106 16.098 2.061 1055 2HB HIS 127 1HB HIS 127 11.099 14.875 2.811 1056 HD1 HIS 127 1HD HIS 127 9.087 16.383 3.084 1057 HD2 HIS 127 2HD HIS 127 12.507 17.907 4.908 1058 HE1 HIS 127 1HE HIS 127 8.307 18.325 4.480 1059 HE2 HIS 127 2HE HIS 127 10.413 19.354 5.405 1060 H HIS 128 H HIS 128 14.444 16.350 1.993 1061 HA HIS 128 HA HIS 128 15.838 17.886 4.097 1062 1HB HIS 128 2HB HIS 128 17.183 16.123 2.775 1063 2HB HIS 128 1HB HIS 128 17.074 17.252 1.429 1064 HD1 HIS 128 1HD HIS 128 19.460 18.037 1.302 1065 HD2 HIS 128 2HD HIS 128 17.892 18.285 5.150 1066 HE1 HIS 128 1HE HIS 128 21.197 19.234 2.674 1067 HE2 HIS 128 2HE HIS 128 20.296 19.236 5.026 1068 H HIS 129 H HIS 129 14.200 17.927 1.040 1069 HA HIS 129 HA HIS 129 14.021 20.839 1.261 1070 1HB HIS 129 2HB HIS 129 14.802 19.324 -1.235 1071 2HB HIS 129 1HB HIS 129 14.157 20.960 -1.282 1072 HD1 HIS 129 1HD HIS 129 17.266 19.187 -1.197 1073 HD2 HIS 129 2HD HIS 129 15.872 22.793 0.345 1074 HE1 HIS 129 1HE HIS 129 19.318 20.537 -0.657 1075 HE2 HIS 129 2HE HIS 129 18.456 22.761 0.152 Start of MODEL 14 1 1H MET 1 1HT MET 1 14.554 -2.556 15.225 2 2H MET 1 2HT MET 1 14.393 -1.070 14.424 3 3H MET 1 3HT MET 1 15.928 -1.637 14.867 4 HA MET 1 HA MET 1 15.825 -3.420 13.330 5 1HB MET 1 2HB MET 1 13.035 -2.401 12.740 6 2HB MET 1 1HB MET 1 13.875 -3.616 11.786 7 1HG MET 1 2HG MET 1 12.392 -4.767 13.210 8 2HG MET 1 1HG MET 1 14.014 -5.019 13.850 9 1HE MET 1 1HE MET 1 11.601 -1.904 14.128 10 2HE MET 1 2HE MET 1 10.850 -2.199 15.698 11 3HE MET 1 3HE MET 1 10.543 -3.292 14.347 12 H SER 2 H SER 2 16.265 -3.176 11.029 13 HA SER 2 HA SER 2 16.588 -0.341 10.286 14 1HB SER 2 2HB SER 2 18.274 -2.712 9.447 15 2HB SER 2 1HB SER 2 18.546 -1.034 8.976 16 HG SER 2 HG SER 2 19.761 -1.039 10.706 17 H ILE 3 H ILE 3 16.015 -3.593 8.957 18 HA ILE 3 HA ILE 3 14.436 -2.377 6.797 19 HB ILE 3 HB ILE 3 15.340 -4.050 5.199 20 1HG1 ILE 3 2HG1 ILE 3 17.437 -4.505 7.331 21 2HG1 ILE 3 1HG1 ILE 3 16.182 -5.656 6.884 22 1HG2 ILE 3 1HG2 ILE 3 16.146 -1.749 5.178 23 2HG2 ILE 3 2HG2 ILE 3 17.432 -2.875 4.742 24 3HG2 ILE 3 3HG2 ILE 3 17.391 -2.166 6.357 25 1HD1 ILE 3 1HD1 ILE 3 17.127 -5.807 4.640 26 2HD1 ILE 3 2HD1 ILE 3 18.310 -6.234 5.875 27 3HD1 ILE 3 3HD1 ILE 3 18.382 -4.657 5.090 28 H SER 4 H SER 4 13.490 -4.362 5.486 29 HA SER 4 HA SER 4 12.145 -6.181 5.368 30 1HB SER 4 2HB SER 4 13.214 -6.929 8.100 31 2HB SER 4 1HB SER 4 12.332 -7.986 6.996 32 HG SER 4 HG SER 4 14.255 -7.095 5.544 33 H THR 5 H THR 5 11.006 -3.889 5.928 34 HA THR 5 HA THR 5 9.312 -3.941 8.231 35 HB THR 5 HB THR 5 8.074 -2.123 7.019 36 HG1 THR 5 1HG THR 5 10.165 -2.336 5.084 37 1HG2 THR 5 1HG2 THR 5 9.908 -0.494 7.129 38 2HG2 THR 5 2HG2 THR 5 11.076 -1.816 7.172 39 3HG2 THR 5 3HG2 THR 5 9.944 -1.597 8.506 40 H SER 6 H SER 6 6.857 -3.819 7.906 41 HA SER 6 HA SER 6 5.889 -6.280 7.078 42 1HB SER 6 2HB SER 6 4.804 -4.616 8.660 43 2HB SER 6 1HB SER 6 4.240 -3.747 7.234 44 HG SER 6 HG SER 6 2.611 -5.103 7.775 45 H ALA 7 H ALA 7 6.040 -3.212 5.336 46 HA ALA 7 HA ALA 7 4.517 -3.961 3.094 47 1HB ALA 7 1HB ALA 7 6.777 -1.967 3.240 48 2HB ALA 7 2HB ALA 7 5.088 -1.634 3.622 49 3HB ALA 7 3HB ALA 7 5.551 -2.065 1.974 50 H GLU 8 H GLU 8 8.012 -4.119 3.718 51 HA GLU 8 HA GLU 8 8.805 -5.151 1.235 52 1HB GLU 8 2HB GLU 8 9.981 -5.480 3.993 53 2HB GLU 8 1HB GLU 8 10.768 -6.066 2.535 54 1HG GLU 8 2HG GLU 8 11.016 -3.860 1.688 55 2HG GLU 8 1HG GLU 8 10.000 -3.194 2.967 56 H VAL 9 H VAL 9 7.720 -6.743 4.182 57 HA VAL 9 HA VAL 9 8.259 -9.389 3.493 58 HB VAL 9 HB VAL 9 6.064 -8.258 5.243 59 1HG1 VAL 9 1HG1 VAL 9 5.443 -10.505 4.531 60 2HG1 VAL 9 2HG1 VAL 9 5.912 -10.504 6.230 61 3HG1 VAL 9 3HG1 VAL 9 7.029 -11.114 5.009 62 1HG2 VAL 9 1HG2 VAL 9 8.760 -9.442 5.902 63 2HG2 VAL 9 2HG2 VAL 9 7.556 -8.912 7.077 64 3HG2 VAL 9 3HG2 VAL 9 8.314 -7.740 6.000 65 H TYR 10 H TYR 10 5.271 -7.503 2.999 66 HA TYR 10 HA TYR 10 3.942 -9.637 1.644 67 1HB TYR 10 2HB TYR 10 3.317 -6.687 1.845 68 2HB TYR 10 1HB TYR 10 2.269 -7.857 1.046 69 HD1 TYR 10 2HD TYR 10 2.226 -10.143 2.757 70 HD2 TYR 10 1HD TYR 10 2.349 -6.035 3.850 71 HE1 TYR 10 2HE TYR 10 1.184 -10.692 4.912 72 HE2 TYR 10 1HE TYR 10 1.311 -6.579 6.014 73 HH TYR 10 HH TYR 10 1.169 -9.618 7.268 74 H TYR 11 H TYR 11 5.887 -6.911 0.635 75 HA TYR 11 HA TYR 11 5.266 -6.976 -2.109 76 1HB TYR 11 2HB TYR 11 6.436 -5.088 -1.050 77 2HB TYR 11 1HB TYR 11 7.841 -6.113 -0.766 78 HD1 TYR 11 1HD TYR 11 5.701 -4.797 -3.524 79 HD2 TYR 11 2HD TYR 11 9.542 -6.203 -2.350 80 HE1 TYR 11 1HE TYR 11 6.597 -4.176 -5.730 81 HE2 TYR 11 2HE TYR 11 10.446 -5.585 -4.551 82 HH TYR 11 HH TYR 11 9.614 -5.248 -6.842 83 H GLU 12 H GLU 12 7.733 -8.659 -0.211 84 HA GLU 12 HA GLU 12 9.119 -9.875 -2.343 85 1HB GLU 12 2HB GLU 12 9.778 -9.708 0.129 86 2HB GLU 12 1HB GLU 12 8.720 -11.084 0.399 87 1HG GLU 12 2HG GLU 12 10.887 -11.960 0.211 88 2HG GLU 12 1HG GLU 12 10.095 -12.313 -1.325 89 H GLU 13 H GLU 13 6.393 -11.022 -0.367 90 HA GLU 13 HA GLU 13 6.065 -13.521 -1.626 91 1HB GLU 13 2HB GLU 13 4.101 -11.704 -0.224 92 2HB GLU 13 1HB GLU 13 3.675 -13.307 -0.806 93 1HG GLU 13 2HG GLU 13 5.908 -12.795 1.136 94 2HG GLU 13 1HG GLU 13 4.251 -13.144 1.626 95 H ALA 14 H ALA 14 4.731 -10.322 -2.361 96 HA ALA 14 HA ALA 14 3.047 -11.107 -4.475 97 1HB ALA 14 1HB ALA 14 3.169 -8.758 -5.194 98 2HB ALA 14 2HB ALA 14 4.480 -8.489 -4.049 99 3HB ALA 14 3HB ALA 14 2.869 -8.909 -3.463 100 H GLU 15 H GLU 15 6.433 -10.076 -4.446 101 HA GLU 15 HA GLU 15 6.919 -10.229 -7.201 102 1HB GLU 15 2HB GLU 15 8.750 -10.682 -4.841 103 2HB GLU 15 1HB GLU 15 9.315 -10.526 -6.493 104 1HG GLU 15 2HG GLU 15 7.840 -8.431 -4.919 105 2HG GLU 15 1HG GLU 15 9.568 -8.450 -5.255 106 H GLU 16 H GLU 16 7.064 -12.667 -4.665 107 HA GLU 16 HA GLU 16 8.072 -14.770 -6.244 108 1HB GLU 16 2HB GLU 16 6.982 -14.401 -3.570 109 2HB GLU 16 1HB GLU 16 6.635 -15.981 -4.239 110 1HG GLU 16 2HG GLU 16 9.361 -14.735 -3.994 111 2HG GLU 16 1HG GLU 16 8.693 -15.969 -2.927 112 H PHE 17 H PHE 17 4.785 -13.789 -5.410 113 HA PHE 17 HA PHE 17 3.554 -15.980 -6.761 114 1HB PHE 17 2HB PHE 17 2.444 -13.352 -5.776 115 2HB PHE 17 1HB PHE 17 1.453 -14.576 -6.561 116 HD1 PHE 17 2HD PHE 17 2.409 -17.059 -5.445 117 HD2 PHE 17 1HD PHE 17 1.842 -13.293 -3.554 118 HE1 PHE 17 2HE PHE 17 2.099 -18.196 -3.286 119 HE2 PHE 17 1HE PHE 17 1.538 -14.420 -1.389 120 HZ PHE 17 HZ PHE 17 1.666 -16.875 -1.253 121 H LEU 18 H LEU 18 4.429 -12.702 -7.698 122 HA LEU 18 HA LEU 18 3.102 -12.694 -10.187 123 1HB LEU 18 2HB LEU 18 4.073 -10.692 -9.061 124 2HB LEU 18 1HB LEU 18 5.670 -11.282 -9.471 125 HG LEU 18 HG LEU 18 5.113 -11.089 -11.869 126 1HD1 LEU 18 1HD1 LEU 18 3.090 -9.876 -12.532 127 2HD1 LEU 18 2HD1 LEU 18 2.552 -9.868 -10.853 128 3HD1 LEU 18 3HD1 LEU 18 2.706 -11.396 -11.723 129 1HD2 LEU 18 1HD2 LEU 18 6.240 -9.256 -10.727 130 2HD2 LEU 18 2HD2 LEU 18 4.680 -8.576 -10.266 131 3HD2 LEU 18 3HD2 LEU 18 5.143 -8.645 -11.967 132 H SER 19 H SER 19 6.173 -13.972 -9.120 133 HA SER 19 HA SER 19 7.233 -14.584 -11.680 134 1HB SER 19 2HB SER 19 7.794 -15.873 -9.001 135 2HB SER 19 1HB SER 19 8.784 -16.048 -10.450 136 HG SER 19 HG SER 19 8.290 -13.659 -8.974 137 H LYS 20 H LYS 20 4.784 -15.997 -9.770 138 HA LYS 20 HA LYS 20 4.938 -18.625 -10.968 139 1HB LYS 20 2HB LYS 20 4.131 -18.165 -8.609 140 2HB LYS 20 1HB LYS 20 2.693 -17.446 -9.315 141 1HG LYS 20 2HG LYS 20 2.096 -19.575 -10.322 142 2HG LYS 20 1HG LYS 20 3.575 -20.302 -9.692 143 1HD LYS 20 2HD LYS 20 1.807 -20.925 -8.224 144 2HD LYS 20 1HD LYS 20 2.769 -19.706 -7.388 145 1HE LYS 20 2HE LYS 20 0.500 -19.145 -7.009 146 2HE LYS 20 1HE LYS 20 1.104 -17.998 -8.203 147 1HZ LYS 20 1HZ LYS 20 0.088 -19.409 -9.942 148 2HZ LYS 20 2HZ LYS 20 -1.053 -18.766 -8.862 149 3HZ LYS 20 3HZ LYS 20 -0.576 -20.392 -8.728 150 H GLY 21 H GLY 21 4.031 -15.685 -12.070 151 1HA GLY 21 2HA GLY 21 2.861 -15.050 -13.958 152 2HA GLY 21 1HA GLY 21 2.449 -16.741 -14.223 153 H ASP 22 H ASP 22 1.807 -15.366 -11.145 154 HA ASP 22 HA ASP 22 -1.064 -15.628 -11.692 155 1HB ASP 22 2HB ASP 22 0.153 -16.977 -9.853 156 2HB ASP 22 1HB ASP 22 0.182 -15.461 -8.958 157 H LEU 23 H LEU 23 -1.815 -13.690 -12.314 158 HA LEU 23 HA LEU 23 -0.773 -11.230 -11.265 159 1HB LEU 23 2HB LEU 23 -3.205 -11.774 -12.970 160 2HB LEU 23 1HB LEU 23 -2.582 -10.179 -12.598 161 HG LEU 23 HG LEU 23 -1.057 -12.290 -14.131 162 1HD1 LEU 23 1HD1 LEU 23 -1.523 -10.916 -16.102 163 2HD1 LEU 23 2HD1 LEU 23 -2.551 -9.867 -15.124 164 3HD1 LEU 23 3HD1 LEU 23 -3.005 -11.550 -15.386 165 1HD2 LEU 23 1HD2 LEU 23 0.433 -10.438 -14.707 166 2HD2 LEU 23 2HD2 LEU 23 0.381 -10.705 -12.963 167 3HD2 LEU 23 3HD2 LEU 23 -0.508 -9.359 -13.677 168 H VAL 24 H VAL 24 -3.219 -13.434 -10.339 169 HA VAL 24 HA VAL 24 -4.939 -11.522 -9.058 170 HB VAL 24 HB VAL 24 -4.877 -14.527 -8.720 171 1HG1 VAL 24 1HG1 VAL 24 -7.175 -14.273 -7.932 172 2HG1 VAL 24 2HG1 VAL 24 -7.050 -12.525 -8.109 173 3HG1 VAL 24 3HG1 VAL 24 -6.057 -13.362 -6.917 174 1HG2 VAL 24 1HG2 VAL 24 -6.525 -12.821 -10.583 175 2HG2 VAL 24 2HG2 VAL 24 -6.704 -14.560 -10.353 176 3HG2 VAL 24 3HG2 VAL 24 -5.220 -13.912 -11.051 177 H GLN 25 H GLN 25 -2.806 -14.116 -7.847 178 HA GLN 25 HA GLN 25 -3.121 -13.358 -5.123 179 1HB GLN 25 2HB GLN 25 -0.989 -15.057 -6.429 180 2HB GLN 25 1HB GLN 25 -1.234 -14.906 -4.693 181 1HG GLN 25 2HG GLN 25 -3.543 -15.768 -5.011 182 2HG GLN 25 1HG GLN 25 -3.145 -16.061 -6.702 183 1HE2 GLN 25 1HE2 GLN 25 -3.909 -17.915 -4.597 184 2HE2 GLN 25 2HE2 GLN 25 -2.635 -19.080 -4.489 185 H ALA 26 H ALA 26 -0.897 -12.404 -7.630 186 HA ALA 26 HA ALA 26 1.048 -11.150 -6.039 187 1HB ALA 26 1HB ALA 26 1.611 -9.865 -8.043 188 2HB ALA 26 2HB ALA 26 0.111 -10.394 -8.805 189 3HB ALA 26 3HB ALA 26 1.367 -11.570 -8.422 190 H CYS 27 H CYS 27 -1.977 -9.917 -7.442 191 HA CYS 27 HA CYS 27 -1.650 -7.270 -6.495 192 1HB CYS 27 2HB CYS 27 -4.149 -8.763 -7.303 193 2HB CYS 27 1HB CYS 27 -4.071 -7.030 -7.002 194 HG CYS 27 HG CYS 27 -2.867 -8.803 -9.630 195 H GLU 28 H GLU 28 -2.909 -10.178 -5.044 196 HA GLU 28 HA GLU 28 -4.329 -9.006 -2.902 197 1HB GLU 28 2HB GLU 28 -4.333 -11.446 -3.696 198 2HB GLU 28 1HB GLU 28 -2.846 -11.634 -2.783 199 1HG GLU 28 2HG GLU 28 -5.397 -10.667 -1.525 200 2HG GLU 28 1HG GLU 28 -4.997 -12.375 -1.669 201 H LYS 29 H LYS 29 -0.982 -10.166 -3.174 202 HA LYS 29 HA LYS 29 -0.290 -9.244 -0.560 203 1HB LYS 29 2HB LYS 29 1.391 -10.212 -2.868 204 2HB LYS 29 1HB LYS 29 2.070 -9.718 -1.322 205 1HG LYS 29 2HG LYS 29 0.126 -11.969 -1.777 206 2HG LYS 29 1HG LYS 29 1.842 -12.116 -1.398 207 1HD LYS 29 2HD LYS 29 1.455 -11.011 0.758 208 2HD LYS 29 1HD LYS 29 -0.261 -10.877 0.378 209 1HE LYS 29 2HE LYS 29 1.300 -13.435 0.701 210 2HE LYS 29 1HE LYS 29 0.149 -12.763 1.856 211 1HZ LYS 29 1HZ LYS 29 -0.445 -13.772 -0.867 212 2HZ LYS 29 2HZ LYS 29 -1.576 -12.974 0.108 213 3HZ LYS 29 3HZ LYS 29 -0.922 -14.463 0.601 214 H TYR 30 H TYR 30 0.038 -7.940 -3.832 215 HA TYR 30 HA TYR 30 1.576 -5.685 -3.189 216 1HB TYR 30 2HB TYR 30 -0.401 -6.291 -5.350 217 2HB TYR 30 1HB TYR 30 0.159 -4.636 -5.149 218 HD1 TYR 30 2HD TYR 30 3.008 -5.184 -4.379 219 HD2 TYR 30 1HD TYR 30 0.555 -6.884 -7.408 220 HE1 TYR 30 2HE TYR 30 5.013 -5.692 -5.705 221 HE2 TYR 30 1HE TYR 30 2.556 -7.392 -8.748 222 HH TYR 30 HH TYR 30 5.621 -7.445 -7.571 223 H TYR 31 H TYR 31 -1.892 -6.292 -2.929 224 HA TYR 31 HA TYR 31 -2.675 -3.679 -2.272 225 1HB TYR 31 2HB TYR 31 -4.383 -5.261 -2.831 226 2HB TYR 31 1HB TYR 31 -3.879 -6.353 -1.543 227 HD1 TYR 31 1HD TYR 31 -5.416 -3.035 -2.193 228 HD2 TYR 31 2HD TYR 31 -4.751 -6.145 0.628 229 HE1 TYR 31 1HE TYR 31 -6.989 -1.956 -0.637 230 HE2 TYR 31 2HE TYR 31 -6.313 -5.075 2.189 231 HH TYR 31 HH TYR 31 -7.137 -2.696 2.599 232 H LYS 32 H LYS 32 -1.778 -6.412 -0.162 233 HA LYS 32 HA LYS 32 -2.099 -4.929 2.230 234 1HB LYS 32 2HB LYS 32 -0.756 -7.534 1.589 235 2HB LYS 32 1HB LYS 32 -0.594 -6.812 3.185 236 1HG LYS 32 2HG LYS 32 -3.149 -7.646 1.824 237 2HG LYS 32 1HG LYS 32 -2.388 -8.399 3.229 238 1HD LYS 32 2HD LYS 32 -2.682 -6.235 4.448 239 2HD LYS 32 1HD LYS 32 -3.608 -5.644 3.069 240 1HE LYS 32 2HE LYS 32 -5.174 -7.552 3.383 241 2HE LYS 32 1HE LYS 32 -4.287 -7.989 4.844 242 1HZ LYS 32 1HZ LYS 32 -4.789 -5.405 5.308 243 2HZ LYS 32 2HZ LYS 32 -5.806 -6.668 5.815 244 3HZ LYS 32 3HZ LYS 32 -6.159 -5.817 4.395 245 H ALA 33 H ALA 33 0.659 -5.490 0.115 246 HA ALA 33 HA ALA 33 2.633 -4.328 1.740 247 1HB ALA 33 1HB ALA 33 3.155 -5.605 -0.280 248 2HB ALA 33 2HB ALA 33 3.905 -4.009 -0.319 249 3HB ALA 33 3HB ALA 33 2.454 -4.327 -1.271 250 H ALA 34 H ALA 34 0.381 -2.925 -0.589 251 HA ALA 34 HA ALA 34 1.337 -0.256 -0.333 252 1HB ALA 34 1HB ALA 34 -1.347 -1.229 -1.310 253 2HB ALA 34 2HB ALA 34 0.101 -1.062 -2.302 254 3HB ALA 34 3HB ALA 34 -0.645 0.367 -1.588 255 H GLU 35 H GLU 35 -1.365 -2.046 1.104 256 HA GLU 35 HA GLU 35 -2.573 0.044 2.474 257 1HB GLU 35 2HB GLU 35 -3.617 -2.140 2.132 258 2HB GLU 35 1HB GLU 35 -2.414 -2.904 3.161 259 1HG GLU 35 2HG GLU 35 -3.236 -1.567 5.047 260 2HG GLU 35 1HG GLU 35 -4.489 -0.911 3.998 261 H GLU 36 H GLU 36 -0.189 -2.343 3.651 262 HA GLU 36 HA GLU 36 0.110 -1.220 6.218 263 1HB GLU 36 2HB GLU 36 1.794 -3.081 4.566 264 2HB GLU 36 1HB GLU 36 2.358 -2.499 6.127 265 1HG GLU 36 2HG GLU 36 -0.295 -3.861 5.778 266 2HG GLU 36 1HG GLU 36 1.195 -4.749 6.091 267 H ALA 37 H ALA 37 1.617 -0.488 3.144 268 HA ALA 37 HA ALA 37 3.723 1.120 4.167 269 1HB ALA 37 1HB ALA 37 2.331 1.316 1.494 270 2HB ALA 37 2HB ALA 37 3.702 0.268 1.863 271 3HB ALA 37 3HB ALA 37 3.891 2.022 1.913 272 H ILE 38 H ILE 38 0.470 1.956 2.934 273 HA ILE 38 HA ILE 38 0.513 4.686 3.505 274 HB ILE 38 HB ILE 38 -1.825 2.777 3.753 275 1HG1 ILE 38 2HG1 ILE 38 -0.854 2.796 1.508 276 2HG1 ILE 38 1HG1 ILE 38 -2.428 3.582 1.504 277 1HG2 ILE 38 1HG2 ILE 38 -2.255 4.838 4.973 278 2HG2 ILE 38 2HG2 ILE 38 -3.253 4.746 3.523 279 3HG2 ILE 38 3HG2 ILE 38 -1.829 5.786 3.546 280 1HD1 ILE 38 1HD1 ILE 38 0.247 4.959 1.489 281 2HD1 ILE 38 2HD1 ILE 38 -1.321 5.768 1.532 282 3HD1 ILE 38 3HD1 ILE 38 -0.865 4.802 0.127 283 H LYS 39 H LYS 39 -0.489 1.981 5.521 284 HA LYS 39 HA LYS 39 -1.074 3.247 7.900 285 1HB LYS 39 2HB LYS 39 -1.576 0.964 7.675 286 2HB LYS 39 1HB LYS 39 0.061 0.552 7.206 287 1HG LYS 39 2HG LYS 39 -0.272 1.633 9.929 288 2HG LYS 39 1HG LYS 39 -0.977 0.045 9.619 289 1HD LYS 39 2HD LYS 39 1.334 -0.466 8.531 290 2HD LYS 39 1HD LYS 39 1.884 0.908 9.495 291 1HE LYS 39 2HE LYS 39 2.243 -1.174 10.695 292 2HE LYS 39 1HE LYS 39 1.038 -0.183 11.518 293 1HZ LYS 39 1HZ LYS 39 -0.682 -1.569 10.826 294 2HZ LYS 39 2HZ LYS 39 0.551 -2.656 11.229 295 3HZ LYS 39 3HZ LYS 39 0.238 -2.296 9.603 296 H LEU 40 H LEU 40 2.094 2.209 6.692 297 HA LEU 40 HA LEU 40 3.517 2.916 9.036 298 1HB LEU 40 2HB LEU 40 4.290 2.261 6.218 299 2HB LEU 40 1HB LEU 40 5.489 2.803 7.362 300 HG LEU 40 HG LEU 40 3.762 0.365 7.664 301 1HD1 LEU 40 1HD1 LEU 40 6.712 0.609 7.121 302 2HD1 LEU 40 2HD1 LEU 40 5.487 0.116 5.952 303 3HD1 LEU 40 3HD1 LEU 40 5.817 -0.893 7.362 304 1HD2 LEU 40 1HD2 LEU 40 5.976 1.406 9.421 305 2HD2 LEU 40 2HD2 LEU 40 5.141 -0.135 9.618 306 3HD2 LEU 40 3HD2 LEU 40 4.257 1.377 9.822 307 H LEU 41 H LEU 41 2.983 4.591 5.947 308 HA LEU 41 HA LEU 41 4.666 6.786 6.501 309 1HB LEU 41 2HB LEU 41 2.487 6.251 4.553 310 2HB LEU 41 1HB LEU 41 2.944 7.922 4.815 311 HG LEU 41 HG LEU 41 5.298 7.313 4.224 312 1HD1 LEU 41 1HD1 LEU 41 5.236 4.952 4.727 313 2HD1 LEU 41 2HD1 LEU 41 5.691 5.213 3.042 314 3HD1 LEU 41 3HD1 LEU 41 4.055 4.687 3.444 315 1HD2 LEU 41 1HD2 LEU 41 3.841 8.339 2.591 316 2HD2 LEU 41 2HD2 LEU 41 3.177 6.766 2.154 317 3HD2 LEU 41 3HD2 LEU 41 4.866 7.135 1.810 318 H VAL 42 H VAL 42 1.278 6.188 7.231 319 HA VAL 42 HA VAL 42 0.589 8.788 8.053 320 HB VAL 42 HB VAL 42 -0.503 6.113 8.937 321 1HG1 VAL 42 1HG1 VAL 42 -2.411 7.307 9.855 322 2HG1 VAL 42 2HG1 VAL 42 -1.696 8.849 9.392 323 3HG1 VAL 42 3HG1 VAL 42 -0.931 7.863 10.637 324 1HG2 VAL 42 1HG2 VAL 42 -2.346 6.663 7.425 325 2HG2 VAL 42 2HG2 VAL 42 -0.806 6.610 6.568 326 3HG2 VAL 42 3HG2 VAL 42 -1.535 8.163 6.980 327 H ILE 43 H ILE 43 1.910 6.036 9.856 328 HA ILE 43 HA ILE 43 1.962 7.288 12.378 329 HB ILE 43 HB ILE 43 3.780 5.123 11.321 330 1HG1 ILE 43 2HG1 ILE 43 1.387 4.581 11.093 331 2HG1 ILE 43 1HG1 ILE 43 2.182 3.556 12.271 332 1HG2 ILE 43 1HG2 ILE 43 4.618 6.147 13.368 333 2HG2 ILE 43 2HG2 ILE 43 4.065 4.500 13.668 334 3HG2 ILE 43 3HG2 ILE 43 3.065 5.871 14.155 335 1HD1 ILE 43 1HD1 ILE 43 1.243 4.900 14.082 336 2HD1 ILE 43 2HD1 ILE 43 -0.017 4.237 13.041 337 3HD1 ILE 43 3HD1 ILE 43 0.448 5.932 12.894 338 H GLU 44 H GLU 44 4.384 7.026 9.788 339 HA GLU 44 HA GLU 44 6.546 8.175 11.084 340 1HB GLU 44 2HB GLU 44 6.459 6.938 8.893 341 2HB GLU 44 1HB GLU 44 5.841 8.407 8.160 342 1HG GLU 44 2HG GLU 44 8.383 8.538 9.669 343 2HG GLU 44 1HG GLU 44 8.366 7.773 8.086 344 H ASN 45 H ASN 45 4.125 9.728 8.981 345 HA ASN 45 HA ASN 45 5.243 12.340 9.431 346 1HB ASN 45 2HB ASN 45 2.749 11.399 8.012 347 2HB ASN 45 1HB ASN 45 3.200 13.095 8.144 348 1HD2 ASN 45 1HD2 ASN 45 3.969 10.028 6.708 349 2HD2 ASN 45 2HD2 ASN 45 5.105 10.631 5.546 350 H ASN 46 H ASN 46 3.289 10.336 11.183 351 HA ASN 46 HA ASN 46 2.033 10.544 13.046 352 1HB ASN 46 2HB ASN 46 4.059 11.819 13.778 353 2HB ASN 46 1HB ASN 46 3.247 13.298 13.281 354 1HD2 ASN 46 1HD2 ASN 46 1.708 10.524 14.825 355 2HD2 ASN 46 2HD2 ASN 46 1.289 11.358 16.282 356 H LEU 47 H LEU 47 0.369 10.704 11.174 357 HA LEU 47 HA LEU 47 -1.144 13.169 11.227 358 1HB LEU 47 2HB LEU 47 -1.876 10.460 10.114 359 2HB LEU 47 1HB LEU 47 -2.776 11.936 9.867 360 HG LEU 47 HG LEU 47 0.010 11.388 8.853 361 1HD1 LEU 47 1HD1 LEU 47 -2.634 11.571 7.417 362 2HD1 LEU 47 2HD1 LEU 47 -1.680 10.109 7.665 363 3HD1 LEU 47 3HD1 LEU 47 -1.055 11.405 6.647 364 1HD2 LEU 47 1HD2 LEU 47 -0.322 13.745 9.395 365 2HD2 LEU 47 2HD2 LEU 47 -1.794 13.766 8.425 366 3HD2 LEU 47 3HD2 LEU 47 -0.231 13.499 7.651 367 H LYS 48 H LYS 48 -1.565 13.414 13.394 368 HA LYS 48 HA LYS 48 -2.328 11.310 15.110 369 1HB LYS 48 2HB LYS 48 -1.203 13.363 15.864 370 2HB LYS 48 1HB LYS 48 -2.641 14.293 15.470 371 1HG LYS 48 2HG LYS 48 -3.899 13.187 17.175 372 2HG LYS 48 1HG LYS 48 -2.572 12.069 17.492 373 1HD LYS 48 2HD LYS 48 -1.176 13.924 18.237 374 2HD LYS 48 1HD LYS 48 -2.481 15.058 17.886 375 1HE LYS 48 2HE LYS 48 -3.878 14.017 19.556 376 2HE LYS 48 1HE LYS 48 -2.648 12.792 19.862 377 1HZ LYS 48 1HZ LYS 48 -2.687 14.622 21.503 378 2HZ LYS 48 2HZ LYS 48 -2.228 15.700 20.277 379 3HZ LYS 48 3HZ LYS 48 -1.188 14.439 20.733 380 H GLU 49 H GLU 49 -4.168 13.684 13.299 381 HA GLU 49 HA GLU 49 -6.658 13.112 14.521 382 1HB GLU 49 2HB GLU 49 -5.998 14.405 11.887 383 2HB GLU 49 1HB GLU 49 -7.600 14.357 12.599 384 1HG GLU 49 2HG GLU 49 -5.165 15.734 13.688 385 2HG GLU 49 1HG GLU 49 -6.637 16.485 13.072 386 H ILE 50 H ILE 50 -4.784 11.438 12.246 387 HA ILE 50 HA ILE 50 -7.076 9.929 11.245 388 HB ILE 50 HB ILE 50 -4.136 9.742 10.565 389 1HG1 ILE 50 2HG1 ILE 50 -5.234 11.730 9.670 390 2HG1 ILE 50 1HG1 ILE 50 -4.850 10.602 8.373 391 1HG2 ILE 50 1HG2 ILE 50 -5.153 7.541 10.402 392 2HG2 ILE 50 2HG2 ILE 50 -4.796 8.178 8.797 393 3HG2 ILE 50 3HG2 ILE 50 -6.452 8.198 9.406 394 1HD1 ILE 50 1HD1 ILE 50 -7.045 11.583 8.053 395 2HD1 ILE 50 2HD1 ILE 50 -7.553 10.998 9.638 396 3HD1 ILE 50 3HD1 ILE 50 -7.180 9.849 8.353 397 H THR 51 H THR 51 -4.122 9.513 13.158 398 HA THR 51 HA THR 51 -4.370 6.744 13.550 399 HB THR 51 HB THR 51 -2.876 7.174 15.575 400 HG1 THR 51 1HG THR 51 -2.502 9.188 16.124 401 1HG2 THR 51 1HG2 THR 51 -2.021 8.228 12.875 402 2HG2 THR 51 2HG2 THR 51 -1.981 6.542 13.393 403 3HG2 THR 51 3HG2 THR 51 -0.935 7.728 14.171 404 H ASN 52 H ASN 52 -5.623 9.491 15.417 405 HA ASN 52 HA ASN 52 -6.526 7.936 17.601 406 1HB ASN 52 2HB ASN 52 -7.903 9.886 18.222 407 2HB ASN 52 1HB ASN 52 -6.242 10.331 17.861 408 1HD2 ASN 52 1HD2 ASN 52 -6.788 12.460 17.483 409 2HD2 ASN 52 2HD2 ASN 52 -7.643 12.961 16.067 410 H ASN 53 H ASN 53 -7.776 8.337 14.437 411 HA ASN 53 HA ASN 53 -10.434 7.413 15.129 412 1HB ASN 53 2HB ASN 53 -9.070 8.287 12.612 413 2HB ASN 53 1HB ASN 53 -10.499 7.279 12.495 414 1HD2 ASN 53 1HD2 ASN 53 -9.261 10.404 13.266 415 2HD2 ASN 53 2HD2 ASN 53 -10.795 11.184 13.467 416 H VAL 54 H VAL 54 -7.476 6.196 13.655 417 HA VAL 54 HA VAL 54 -8.584 3.647 12.947 418 HB VAL 54 HB VAL 54 -5.669 4.405 13.257 419 1HG1 VAL 54 1HG1 VAL 54 -5.244 2.532 11.736 420 2HG1 VAL 54 2HG1 VAL 54 -6.962 2.136 11.742 421 3HG1 VAL 54 3HG1 VAL 54 -6.018 1.992 13.225 422 1HG2 VAL 54 1HG2 VAL 54 -7.443 4.491 10.818 423 2HG2 VAL 54 2HG2 VAL 54 -5.699 4.756 10.823 424 3HG2 VAL 54 3HG2 VAL 54 -6.764 5.879 11.670 425 H LYS 55 H LYS 55 -7.268 5.036 15.797 426 HA LYS 55 HA LYS 55 -6.346 2.729 17.112 427 1HB LYS 55 2HB LYS 55 -6.798 5.513 17.737 428 2HB LYS 55 1HB LYS 55 -7.275 4.485 19.078 429 1HG LYS 55 2HG LYS 55 -4.954 5.226 19.269 430 2HG LYS 55 1HG LYS 55 -5.075 3.472 19.123 431 1HD LYS 55 2HD LYS 55 -4.489 3.615 16.765 432 2HD LYS 55 1HD LYS 55 -4.425 5.375 16.869 433 1HE LYS 55 2HE LYS 55 -2.186 4.521 16.957 434 2HE LYS 55 1HE LYS 55 -2.607 5.151 18.547 435 1HZ LYS 55 1HZ LYS 55 -2.433 2.314 17.699 436 2HZ LYS 55 2HZ LYS 55 -3.183 2.787 19.147 437 3HZ LYS 55 3HZ LYS 55 -1.535 3.105 18.901 438 H ASN 56 H ASN 56 -9.494 3.604 16.276 439 HA ASN 56 HA ASN 56 -10.973 2.399 18.352 440 1HB ASN 56 2HB ASN 56 -12.005 3.762 16.550 441 2HB ASN 56 1HB ASN 56 -11.628 2.492 15.391 442 1HD2 ASN 56 1HD2 ASN 56 -13.740 2.088 14.839 443 2HD2 ASN 56 2HD2 ASN 56 -14.878 1.362 15.923 444 H LYS 57 H LYS 57 -9.415 1.155 15.469 445 HA LYS 57 HA LYS 57 -10.025 -1.585 16.246 446 1HB LYS 57 2HB LYS 57 -8.951 -0.430 13.665 447 2HB LYS 57 1HB LYS 57 -9.362 -2.099 13.949 448 1HG LYS 57 2HG LYS 57 -11.250 0.230 13.862 449 2HG LYS 57 1HG LYS 57 -11.116 -1.077 12.685 450 1HD LYS 57 2HD LYS 57 -11.959 -1.385 15.564 451 2HD LYS 57 1HD LYS 57 -13.046 -1.368 14.176 452 1HE LYS 57 2HE LYS 57 -12.048 -3.392 13.319 453 2HE LYS 57 1HE LYS 57 -10.832 -3.373 14.597 454 1HZ LYS 57 1HZ LYS 57 -12.565 -3.682 16.229 455 2HZ LYS 57 2HZ LYS 57 -12.641 -4.925 15.075 456 3HZ LYS 57 3HZ LYS 57 -13.758 -3.645 15.027 457 H GLY 58 H GLY 58 -8.033 -2.989 15.201 458 1HA GLY 58 2HA GLY 58 -5.531 -1.829 16.281 459 2HA GLY 58 1HA GLY 58 -5.888 -3.554 16.228 460 H ARG 59 H ARG 59 -7.170 -2.676 13.493 461 HA ARG 59 HA ARG 59 -4.752 -2.435 11.898 462 1HB ARG 59 2HB ARG 59 -5.002 -4.834 12.129 463 2HB ARG 59 1HB ARG 59 -6.698 -4.738 11.679 464 1HG ARG 59 2HG ARG 59 -6.186 -4.252 9.437 465 2HG ARG 59 1HG ARG 59 -4.501 -3.890 9.817 466 1HD ARG 59 2HD ARG 59 -5.764 -6.606 10.155 467 2HD ARG 59 1HD ARG 59 -4.869 -6.106 8.719 468 HE ARG 59 HE ARG 59 -3.009 -5.639 10.465 469 1HH1 ARG 59 1HH1 ARG 59 -5.289 -8.296 10.567 470 2HH1 ARG 59 2HH1 ARG 59 -4.206 -9.369 11.398 471 1HH2 ARG 59 1HH2 ARG 59 -1.592 -7.018 11.569 472 2HH2 ARG 59 2HH2 ARG 59 -2.079 -8.638 11.966 473 H TRP 60 H TRP 60 -5.129 -1.668 9.814 474 HA TRP 60 HA TRP 60 -7.338 0.114 9.626 475 1HB TRP 60 2HB TRP 60 -5.242 -0.631 7.569 476 2HB TRP 60 1HB TRP 60 -6.331 0.749 7.466 477 HD1 TRP 60 HD TRP 60 -3.827 -0.512 10.176 478 HE1 TRP 60 1HE TRP 60 -2.471 1.507 11.007 479 HE3 TRP 60 3HE TRP 60 -5.918 3.119 7.248 480 HZ2 TRP 60 2HZ TRP 60 -2.296 4.274 10.471 481 HZ3 TRP 60 3HZ TRP 60 -5.090 5.424 7.466 482 HH2 TRP 60 HH TRP 60 -3.318 5.986 9.043 483 H LYS 61 H LYS 61 -9.231 -0.103 8.526 484 HA LYS 61 HA LYS 61 -9.700 -2.725 7.326 485 1HB LYS 61 2HB LYS 61 -11.157 -2.026 9.208 486 2HB LYS 61 1HB LYS 61 -11.735 -0.691 8.222 487 1HG LYS 61 2HG LYS 61 -12.693 -2.222 6.626 488 2HG LYS 61 1HG LYS 61 -12.022 -3.598 7.500 489 1HD LYS 61 2HD LYS 61 -13.394 -2.990 9.457 490 2HD LYS 61 1HD LYS 61 -14.094 -1.662 8.529 491 1HE LYS 61 2HE LYS 61 -15.000 -3.241 6.917 492 2HE LYS 61 1HE LYS 61 -14.258 -4.581 7.788 493 1HZ LYS 61 1HZ LYS 61 -16.593 -4.385 8.335 494 2HZ LYS 61 2HZ LYS 61 -16.379 -2.780 8.841 495 3HZ LYS 61 3HZ LYS 61 -15.649 -4.045 9.704 496 H SER 62 H SER 62 -10.928 0.558 6.727 497 HA SER 62 HA SER 62 -10.401 0.226 3.892 498 1HB SER 62 2HB SER 62 -12.828 0.796 3.362 499 2HB SER 62 1HB SER 62 -12.523 -0.835 3.966 500 HG SER 62 HG SER 62 -14.092 -0.257 5.289 501 H GLU 63 H GLU 63 -12.704 2.336 5.589 502 HA GLU 63 HA GLU 63 -12.132 4.584 4.073 503 1HB GLU 63 2HB GLU 63 -13.368 5.852 5.749 504 2HB GLU 63 1HB GLU 63 -14.174 4.337 5.384 505 1HG GLU 63 2HG GLU 63 -13.425 3.367 7.436 506 2HG GLU 63 1HG GLU 63 -12.395 4.756 7.775 507 H ASN 64 H ASN 64 -10.602 3.437 6.987 508 HA ASN 64 HA ASN 64 -9.283 5.686 7.895 509 1HB ASN 64 2HB ASN 64 -8.027 2.940 7.840 510 2HB ASN 64 1HB ASN 64 -7.840 4.201 9.046 511 1HD2 ASN 64 1HD2 ASN 64 -9.479 4.552 10.553 512 2HD2 ASN 64 2HD2 ASN 64 -10.705 3.370 10.860 513 H LEU 65 H LEU 65 -8.424 3.424 5.353 514 HA LEU 65 HA LEU 65 -5.797 4.428 4.928 515 1HB LEU 65 2HB LEU 65 -7.585 2.713 3.208 516 2HB LEU 65 1HB LEU 65 -5.881 2.997 2.904 517 HG LEU 65 HG LEU 65 -6.800 1.795 5.501 518 1HD1 LEU 65 1HD1 LEU 65 -6.193 0.318 2.943 519 2HD1 LEU 65 2HD1 LEU 65 -7.755 0.397 3.761 520 3HD1 LEU 65 3HD1 LEU 65 -6.395 -0.421 4.531 521 1HD2 LEU 65 1HD2 LEU 65 -4.531 0.841 5.456 522 2HD2 LEU 65 2HD2 LEU 65 -4.514 2.604 5.400 523 3HD2 LEU 65 3HD2 LEU 65 -4.225 1.672 3.930 524 H PHE 66 H PHE 66 -8.929 4.982 3.410 525 HA PHE 66 HA PHE 66 -7.894 6.544 1.255 526 1HB PHE 66 2HB PHE 66 -10.103 5.301 1.262 527 2HB PHE 66 1HB PHE 66 -10.726 6.577 2.303 528 HD1 PHE 66 2HD PHE 66 -9.210 5.940 -1.017 529 HD2 PHE 66 1HD PHE 66 -11.532 8.578 1.388 530 HE1 PHE 66 2HE PHE 66 -9.740 7.280 -3.008 531 HE2 PHE 66 1HE PHE 66 -12.063 9.924 -0.605 532 HZ PHE 66 HZ PHE 66 -11.166 9.275 -2.805 533 H LYS 67 H LYS 67 -9.378 7.285 4.382 534 HA LYS 67 HA LYS 67 -9.399 10.101 4.140 535 1HB LYS 67 2HB LYS 67 -10.105 8.202 6.074 536 2HB LYS 67 1HB LYS 67 -8.848 9.158 6.839 537 1HG LYS 67 2HG LYS 67 -11.327 10.300 5.579 538 2HG LYS 67 1HG LYS 67 -11.141 9.956 7.297 539 1HD LYS 67 2HD LYS 67 -9.177 11.511 7.305 540 2HD LYS 67 1HD LYS 67 -9.588 11.943 5.642 541 1HE LYS 67 2HE LYS 67 -11.808 12.672 6.399 542 2HE LYS 67 1HE LYS 67 -11.367 12.270 8.059 543 1HZ LYS 67 1HZ LYS 67 -10.105 14.346 6.345 544 2HZ LYS 67 2HZ LYS 67 -9.561 13.922 7.893 545 3HZ LYS 67 3HZ LYS 67 -11.095 14.614 7.696 546 H ALA 68 H ALA 68 -6.957 7.820 5.287 547 HA ALA 68 HA ALA 68 -5.043 9.713 6.114 548 1HB ALA 68 1HB ALA 68 -4.619 6.913 5.078 549 2HB ALA 68 2HB ALA 68 -4.942 7.360 6.754 550 3HB ALA 68 3HB ALA 68 -3.445 7.872 5.979 551 H SER 69 H SER 69 -5.525 8.034 3.025 552 HA SER 69 HA SER 69 -3.320 9.118 1.674 553 1HB SER 69 2HB SER 69 -5.980 8.220 0.535 554 2HB SER 69 1HB SER 69 -4.493 8.448 -0.386 555 HG SER 69 HG SER 69 -5.028 6.531 1.636 556 H LYS 70 H LYS 70 -6.507 10.402 2.310 557 HA LYS 70 HA LYS 70 -6.500 12.552 0.518 558 1HB LYS 70 2HB LYS 70 -7.849 11.999 3.131 559 2HB LYS 70 1HB LYS 70 -7.999 13.579 2.396 560 1HG LYS 70 2HG LYS 70 -8.827 10.958 1.173 561 2HG LYS 70 1HG LYS 70 -9.896 12.195 1.832 562 1HD LYS 70 2HD LYS 70 -8.079 12.503 -0.559 563 2HD LYS 70 1HD LYS 70 -9.831 12.303 -0.604 564 1HE LYS 70 2HE LYS 70 -8.361 14.612 0.667 565 2HE LYS 70 1HE LYS 70 -9.136 14.644 -0.913 566 1HZ LYS 70 1HZ LYS 70 -11.267 14.224 0.181 567 2HZ LYS 70 2HZ LYS 70 -10.542 15.642 0.754 568 3HZ LYS 70 3HZ LYS 70 -10.505 14.237 1.694 569 H LEU 71 H LEU 71 -5.260 12.289 3.838 570 HA LEU 71 HA LEU 71 -4.342 15.020 3.856 571 1HB LEU 71 2HB LEU 71 -3.820 12.737 5.754 572 2HB LEU 71 1HB LEU 71 -3.245 14.373 6.003 573 HG LEU 71 HG LEU 71 -6.115 13.446 5.968 574 1HD1 LEU 71 1HD1 LEU 71 -4.388 14.650 8.124 575 2HD1 LEU 71 2HD1 LEU 71 -4.913 12.969 8.025 576 3HD1 LEU 71 3HD1 LEU 71 -6.098 14.251 8.279 577 1HD2 LEU 71 1HD2 LEU 71 -5.908 15.628 4.861 578 2HD2 LEU 71 2HD2 LEU 71 -5.043 16.251 6.266 579 3HD2 LEU 71 3HD2 LEU 71 -6.728 15.756 6.416 580 H LEU 72 H LEU 72 -2.954 11.855 3.255 581 HA LEU 72 HA LEU 72 -0.239 12.595 3.312 582 1HB LEU 72 2HB LEU 72 -1.668 10.378 1.862 583 2HB LEU 72 1HB LEU 72 0.076 10.563 1.841 584 HG LEU 72 HG LEU 72 -1.591 10.123 4.322 585 1HD1 LEU 72 1HD1 LEU 72 -0.562 7.900 4.343 586 2HD1 LEU 72 2HD1 LEU 72 0.204 8.246 2.793 587 3HD1 LEU 72 3HD1 LEU 72 -1.554 8.149 2.905 588 1HD2 LEU 72 1HD2 LEU 72 1.398 10.231 3.921 589 2HD2 LEU 72 2HD2 LEU 72 0.583 9.765 5.414 590 3HD2 LEU 72 3HD2 LEU 72 0.415 11.408 4.794 591 H ARG 73 H ARG 73 -2.656 13.426 1.115 592 HA ARG 73 HA ARG 73 -1.180 13.655 -1.282 593 1HB ARG 73 2HB ARG 73 -3.671 13.690 -1.046 594 2HB ARG 73 1HB ARG 73 -3.546 15.312 -0.388 595 1HG ARG 73 2HG ARG 73 -2.328 14.792 -3.040 596 2HG ARG 73 1HG ARG 73 -4.087 14.837 -2.931 597 1HD ARG 73 2HD ARG 73 -3.827 17.063 -1.762 598 2HD ARG 73 1HD ARG 73 -2.126 17.010 -2.231 599 HE ARG 73 HE ARG 73 -3.935 16.600 -4.426 600 1HH1 ARG 73 1HH1 ARG 73 -2.325 19.029 -2.488 601 2HH1 ARG 73 2HH1 ARG 73 -2.392 20.242 -3.732 602 1HH2 ARG 73 1HH2 ARG 73 -4.056 18.175 -6.035 603 2HH2 ARG 73 2HH2 ARG 73 -3.369 19.752 -5.770 604 H SER 74 H SER 74 -1.383 15.628 1.577 605 HA SER 74 HA SER 74 -0.132 17.933 0.402 606 1HB SER 74 2HB SER 74 -0.506 17.146 3.304 607 2HB SER 74 1HB SER 74 0.016 18.733 2.736 608 HG SER 74 HG SER 74 -2.063 18.559 1.430 609 H ASN 75 H ASN 75 0.929 14.917 1.553 610 HA ASN 75 HA ASN 75 3.684 15.783 1.958 611 1HB ASN 75 2HB ASN 75 2.642 13.989 3.385 612 2HB ASN 75 1HB ASN 75 2.542 12.973 1.953 613 1HD2 ASN 75 1HD2 ASN 75 3.875 11.397 2.762 614 2HD2 ASN 75 2HD2 ASN 75 5.571 11.622 3.012 615 H ASN 76 H ASN 76 2.099 13.257 0.022 616 HA ASN 76 HA ASN 76 3.554 14.207 -2.345 617 1HB ASN 76 2HB ASN 76 3.321 11.359 -1.387 618 2HB ASN 76 1HB ASN 76 3.522 11.723 -3.094 619 1HD2 ASN 76 1HD2 ASN 76 5.509 11.085 -3.539 620 2HD2 ASN 76 2HD2 ASN 76 6.933 11.580 -2.694 621 H THR 77 H THR 77 2.203 14.638 -3.973 622 HA THR 77 HA THR 77 -0.609 14.279 -3.631 623 HB THR 77 HB THR 77 0.410 16.238 -4.798 624 HG1 THR 77 1HG THR 77 -1.199 16.347 -6.388 625 1HG2 THR 77 1HG2 THR 77 2.148 15.090 -6.064 626 2HG2 THR 77 2HG2 THR 77 1.100 16.005 -7.147 627 3HG2 THR 77 3HG2 THR 77 0.923 14.255 -7.021 628 H GLU 78 H GLU 78 1.877 12.382 -4.961 629 HA GLU 78 HA GLU 78 0.521 10.913 -6.930 630 1HB GLU 78 2HB GLU 78 2.775 10.056 -5.118 631 2HB GLU 78 1HB GLU 78 2.319 9.289 -6.624 632 1HG GLU 78 2HG GLU 78 3.096 11.079 -7.910 633 2HG GLU 78 1HG GLU 78 3.163 12.157 -6.515 634 H ILE 79 H ILE 79 0.741 10.581 -3.447 635 HA ILE 79 HA ILE 79 0.246 7.890 -3.130 636 HB ILE 79 HB ILE 79 -0.490 10.141 -1.260 637 1HG1 ILE 79 2HG1 ILE 79 1.893 8.274 -1.335 638 2HG1 ILE 79 1HG1 ILE 79 1.906 9.951 -1.868 639 1HG2 ILE 79 1HG2 ILE 79 -0.298 7.179 -0.720 640 2HG2 ILE 79 2HG2 ILE 79 -1.776 8.139 -0.723 641 3HG2 ILE 79 3HG2 ILE 79 -0.538 8.431 0.499 642 1HD1 ILE 79 1HD1 ILE 79 1.372 10.664 0.413 643 2HD1 ILE 79 2HD1 ILE 79 2.879 9.752 0.328 644 3HD1 ILE 79 3HD1 ILE 79 1.414 8.979 0.932 645 HA PRO 80 HA PRO 80 -4.576 8.817 -2.597 646 1HB PRO 80 2HB PRO 80 -4.724 11.070 -4.540 647 2HB PRO 80 1HB PRO 80 -5.668 10.779 -3.074 648 1HG PRO 80 2HG PRO 80 -3.737 12.603 -3.087 649 2HG PRO 80 1HG PRO 80 -3.997 11.560 -1.675 650 1HD PRO 80 2HD PRO 80 -1.882 11.416 -3.782 651 2HD PRO 80 1HD PRO 80 -1.770 11.089 -2.042 652 H ILE 81 H ILE 81 -2.862 9.502 -5.614 653 HA ILE 81 HA ILE 81 -4.799 8.197 -7.279 654 HB ILE 81 HB ILE 81 -1.934 8.908 -7.934 655 1HG1 ILE 81 2HG1 ILE 81 -4.462 10.515 -8.401 656 2HG1 ILE 81 1HG1 ILE 81 -3.262 10.863 -7.161 657 1HG2 ILE 81 1HG2 ILE 81 -2.709 8.880 -10.259 658 2HG2 ILE 81 2HG2 ILE 81 -4.311 8.381 -9.716 659 3HG2 ILE 81 3HG2 ILE 81 -2.928 7.312 -9.484 660 1HD1 ILE 81 1HD1 ILE 81 -2.791 10.912 -10.133 661 2HD1 ILE 81 2HD1 ILE 81 -1.593 11.280 -8.892 662 3HD1 ILE 81 3HD1 ILE 81 -3.004 12.318 -9.090 663 H LEU 82 H LEU 82 -1.640 7.381 -5.931 664 HA LEU 82 HA LEU 82 -1.300 4.898 -7.202 665 1HB LEU 82 2HB LEU 82 -0.280 5.693 -4.471 666 2HB LEU 82 1HB LEU 82 0.375 4.443 -5.511 667 HG LEU 82 HG LEU 82 0.412 7.409 -6.081 668 1HD1 LEU 82 1HD1 LEU 82 1.954 6.808 -4.311 669 2HD1 LEU 82 2HD1 LEU 82 2.834 7.203 -5.786 670 3HD1 LEU 82 3HD1 LEU 82 2.626 5.518 -5.309 671 1HD2 LEU 82 1HD2 LEU 82 1.592 5.109 -7.628 672 2HD2 LEU 82 2HD2 LEU 82 1.851 6.820 -7.969 673 3HD2 LEU 82 3HD2 LEU 82 0.239 6.123 -8.131 674 H TRP 83 H TRP 83 -2.680 5.722 -4.031 675 HA TRP 83 HA TRP 83 -3.335 3.057 -3.322 676 1HB TRP 83 2HB TRP 83 -3.183 4.808 -1.627 677 2HB TRP 83 1HB TRP 83 -4.536 5.668 -2.360 678 HD1 TRP 83 HD TRP 83 -6.820 5.186 -1.272 679 HE1 TRP 83 1HE TRP 83 -7.810 3.292 0.164 680 HE3 TRP 83 3HE TRP 83 -2.818 2.000 -1.230 681 HZ2 TRP 83 2HZ TRP 83 -7.004 0.783 1.171 682 HZ3 TRP 83 3HZ TRP 83 -3.014 -0.116 -0.023 683 HH2 TRP 83 HH TRP 83 -5.065 -0.714 1.163 684 H LYS 84 H LYS 84 -5.067 5.582 -5.077 685 HA LYS 84 HA LYS 84 -7.619 4.438 -5.079 686 1HB LYS 84 2HB LYS 84 -7.018 6.757 -5.847 687 2HB LYS 84 1HB LYS 84 -6.391 6.043 -7.323 688 1HG LYS 84 2HG LYS 84 -8.563 5.235 -7.937 689 2HG LYS 84 1HG LYS 84 -9.234 5.745 -6.386 690 1HD LYS 84 2HD LYS 84 -9.860 7.370 -8.032 691 2HD LYS 84 1HD LYS 84 -8.642 8.099 -6.987 692 1HE LYS 84 2HE LYS 84 -8.100 8.693 -9.222 693 2HE LYS 84 1HE LYS 84 -6.933 7.476 -8.714 694 1HZ LYS 84 1HZ LYS 84 -9.338 6.972 -10.384 695 2HZ LYS 84 2HZ LYS 84 -8.199 5.808 -9.914 696 3HZ LYS 84 3HZ LYS 84 -7.743 7.070 -10.949 697 H SER 85 H SER 85 -4.894 4.010 -7.298 698 HA SER 85 HA SER 85 -6.142 2.280 -9.120 699 1HB SER 85 2HB SER 85 -3.231 2.387 -8.283 700 2HB SER 85 1HB SER 85 -3.848 1.592 -9.731 701 HG SER 85 HG SER 85 -4.794 4.057 -9.754 702 H ALA 86 H ALA 86 -4.393 1.624 -6.106 703 HA ALA 86 HA ALA 86 -4.470 -1.201 -6.332 704 1HB ALA 86 1HB ALA 86 -3.799 -1.230 -3.998 705 2HB ALA 86 2HB ALA 86 -4.176 0.485 -3.853 706 3HB ALA 86 3HB ALA 86 -2.857 -0.042 -4.898 707 H TRP 87 H TRP 87 -6.492 1.121 -4.573 708 HA TRP 87 HA TRP 87 -8.189 -0.753 -3.348 709 1HB TRP 87 2HB TRP 87 -8.022 1.649 -2.708 710 2HB TRP 87 1HB TRP 87 -8.861 2.077 -4.190 711 HD1 TRP 87 HD TRP 87 -11.320 2.509 -3.849 712 HE1 TRP 87 1HE TRP 87 -13.146 1.727 -2.208 713 HE3 TRP 87 3HE TRP 87 -8.540 -0.726 -1.042 714 HZ2 TRP 87 2HZ TRP 87 -13.368 -0.039 -0.006 715 HZ3 TRP 87 3HZ TRP 87 -9.626 -1.921 0.812 716 HH2 TRP 87 HH TRP 87 -11.991 -1.583 1.320 717 H THR 88 H THR 88 -8.240 0.739 -6.521 718 HA THR 88 HA THR 88 -10.816 -0.013 -7.316 719 HB THR 88 HB THR 88 -8.327 0.367 -8.988 720 HG1 THR 88 1HG THR 88 -8.939 2.239 -7.869 721 1HG2 THR 88 1HG2 THR 88 -11.230 0.290 -9.818 722 2HG2 THR 88 2HG2 THR 88 -10.003 -0.909 -10.227 723 3HG2 THR 88 3HG2 THR 88 -9.881 0.734 -10.861 724 H LEU 89 H LEU 89 -7.718 -1.734 -7.585 725 HA LEU 89 HA LEU 89 -8.714 -3.955 -9.005 726 1HB LEU 89 2HB LEU 89 -6.382 -3.859 -7.092 727 2HB LEU 89 1HB LEU 89 -6.698 -5.127 -8.257 728 HG LEU 89 HG LEU 89 -5.899 -2.280 -8.838 729 1HD1 LEU 89 1HD1 LEU 89 -4.577 -4.936 -9.369 730 2HD1 LEU 89 2HD1 LEU 89 -4.088 -3.750 -8.159 731 3HD1 LEU 89 3HD1 LEU 89 -3.960 -3.364 -9.876 732 1HD2 LEU 89 1HD2 LEU 89 -6.655 -4.464 -10.774 733 2HD2 LEU 89 2HD2 LEU 89 -5.985 -2.891 -11.204 734 3HD2 LEU 89 3HD2 LEU 89 -7.580 -2.999 -10.458 735 H HIS 90 H HIS 90 -8.664 -3.141 -5.612 736 HA HIS 90 HA HIS 90 -9.316 -5.712 -4.605 737 1HB HIS 90 2HB HIS 90 -8.403 -3.712 -3.309 738 2HB HIS 90 1HB HIS 90 -10.043 -3.070 -3.329 739 HD1 HIS 90 1HD HIS 90 -11.715 -4.063 -1.662 740 HD2 HIS 90 2HD HIS 90 -8.059 -6.055 -1.730 741 HE1 HIS 90 1HE HIS 90 -11.733 -5.595 0.329 742 HE2 HIS 90 2HE HIS 90 -9.436 -6.621 0.390 743 H VAL 91 H VAL 91 -11.286 -2.843 -5.341 744 HA VAL 91 HA VAL 91 -13.761 -4.125 -4.694 745 HB VAL 91 HB VAL 91 -13.275 -1.566 -6.233 746 1HG1 VAL 91 1HG1 VAL 91 -15.777 -2.597 -4.896 747 2HG1 VAL 91 2HG1 VAL 91 -15.502 -2.460 -6.634 748 3HG1 VAL 91 3HG1 VAL 91 -15.583 -1.007 -5.639 749 1HG2 VAL 91 1HG2 VAL 91 -13.879 -1.994 -3.309 750 2HG2 VAL 91 2HG2 VAL 91 -13.711 -0.434 -4.117 751 3HG2 VAL 91 3HG2 VAL 91 -12.323 -1.513 -3.981 752 H GLU 92 H GLU 92 -12.350 -3.037 -7.800 753 HA GLU 92 HA GLU 92 -14.547 -4.227 -9.243 754 1HB GLU 92 2HB GLU 92 -12.124 -2.680 -10.131 755 2HB GLU 92 1HB GLU 92 -13.261 -3.393 -11.268 756 1HG GLU 92 2HG GLU 92 -15.069 -2.083 -10.165 757 2HG GLU 92 1HG GLU 92 -13.829 -1.273 -9.210 758 H GLY 93 H GLY 93 -11.730 -5.480 -8.026 759 1HA GLY 93 2HA GLY 93 -10.908 -7.232 -10.077 760 2HA GLY 93 1HA GLY 93 -10.699 -7.514 -8.351 761 H PHE 94 H PHE 94 -13.661 -7.232 -8.009 762 HA PHE 94 HA PHE 94 -14.378 -9.988 -8.538 763 1HB PHE 94 2HB PHE 94 -14.910 -9.022 -6.366 764 2HB PHE 94 1HB PHE 94 -15.821 -7.726 -7.130 765 HD1 PHE 94 1HD PHE 94 -15.758 -11.402 -6.644 766 HD2 PHE 94 2HD PHE 94 -18.105 -7.962 -7.528 767 HE1 PHE 94 1HE PHE 94 -17.805 -12.755 -6.464 768 HE2 PHE 94 2HE PHE 94 -20.155 -9.310 -7.348 769 HZ PHE 94 HZ PHE 94 -20.005 -11.708 -6.819 770 H HIS 95 H HIS 95 -14.720 -6.976 -10.045 771 HA HIS 95 HA HIS 95 -17.228 -7.679 -11.380 772 1HB HIS 95 2HB HIS 95 -16.911 -5.395 -10.398 773 2HB HIS 95 1HB HIS 95 -15.632 -5.114 -11.574 774 HD1 HIS 95 1HD HIS 95 -16.345 -4.732 -14.052 775 HD2 HIS 95 2HD HIS 95 -19.515 -5.253 -11.396 776 HE1 HIS 95 1HE HIS 95 -18.407 -3.976 -15.284 777 HE2 HIS 95 2HE HIS 95 -20.294 -4.206 -13.630 778 H GLU 96 H GLU 96 -13.845 -6.960 -12.076 779 HA GLU 96 HA GLU 96 -14.270 -7.298 -14.926 780 1HB GLU 96 2HB GLU 96 -11.708 -6.779 -13.413 781 2HB GLU 96 1HB GLU 96 -11.936 -6.647 -15.151 782 1HG GLU 96 2HG GLU 96 -13.267 -4.944 -13.057 783 2HG GLU 96 1HG GLU 96 -11.925 -4.462 -14.090 784 H LEU 97 H LEU 97 -13.024 -8.794 -16.192 785 HA LEU 97 HA LEU 97 -12.960 -11.397 -14.937 786 1HB LEU 97 2HB LEU 97 -12.483 -10.556 -17.802 787 2HB LEU 97 1HB LEU 97 -12.478 -12.216 -17.248 788 HG LEU 97 HG LEU 97 -14.581 -11.909 -18.237 789 1HD1 LEU 97 1HD1 LEU 97 -14.741 -13.061 -16.128 790 2HD1 LEU 97 2HD1 LEU 97 -16.180 -12.074 -16.385 791 3HD1 LEU 97 3HD1 LEU 97 -14.925 -11.529 -15.272 792 1HD2 LEU 97 1HD2 LEU 97 -16.088 -10.047 -17.740 793 2HD2 LEU 97 2HD2 LEU 97 -14.557 -9.480 -18.409 794 3HD2 LEU 97 3HD2 LEU 97 -14.867 -9.343 -16.679 795 H SER 98 H SER 98 -11.189 -11.287 -13.580 796 HA SER 98 HA SER 98 -9.046 -11.722 -12.967 797 1HB SER 98 2HB SER 98 -8.603 -12.278 -15.911 798 2HB SER 98 1HB SER 98 -7.534 -12.758 -14.592 799 HG SER 98 HG SER 98 -9.454 -13.907 -13.748 800 H LEU 99 H LEU 99 -9.963 -9.064 -14.172 801 HA LEU 99 HA LEU 99 -9.155 -6.973 -14.466 802 1HB LEU 99 2HB LEU 99 -6.678 -8.185 -13.250 803 2HB LEU 99 1HB LEU 99 -6.909 -6.470 -13.514 804 HG LEU 99 HG LEU 99 -8.623 -8.183 -11.715 805 1HD1 LEU 99 1HD1 LEU 99 -7.513 -7.010 -9.879 806 2HD1 LEU 99 2HD1 LEU 99 -6.450 -6.209 -11.034 807 3HD1 LEU 99 3HD1 LEU 99 -6.373 -7.959 -10.829 808 1HD2 LEU 99 1HD2 LEU 99 -9.849 -6.302 -12.627 809 2HD2 LEU 99 2HD2 LEU 99 -8.551 -5.202 -12.164 810 3HD2 LEU 99 3HD2 LEU 99 -9.497 -6.023 -10.921 811 H ASN 100 H ASN 100 -6.789 -5.906 -15.285 812 HA ASN 100 HA ASN 100 -6.295 -7.273 -17.857 813 1HB ASN 100 2HB ASN 100 -6.039 -4.319 -17.258 814 2HB ASN 100 1HB ASN 100 -5.801 -5.086 -18.819 815 1HD2 ASN 100 1HD2 ASN 100 -8.154 -4.161 -16.405 816 2HD2 ASN 100 2HD2 ASN 100 -9.538 -4.284 -17.443 817 H GLU 101 H GLU 101 -4.137 -7.184 -18.686 818 HA GLU 101 HA GLU 101 -2.186 -7.643 -16.643 819 1HB GLU 101 2HB GLU 101 -2.150 -8.932 -18.717 820 2HB GLU 101 1HB GLU 101 -1.899 -7.467 -19.646 821 1HG GLU 101 2HG GLU 101 0.260 -7.159 -18.429 822 2HG GLU 101 1HG GLU 101 0.015 -8.755 -17.722 823 H LYS 102 H LYS 102 -2.603 -5.201 -19.169 824 HA LYS 102 HA LYS 102 -0.384 -3.606 -18.558 825 1HB LYS 102 2HB LYS 102 -1.925 -3.575 -20.586 826 2HB LYS 102 1HB LYS 102 -3.041 -2.642 -19.610 827 1HG LYS 102 2HG LYS 102 -0.261 -1.660 -19.803 828 2HG LYS 102 1HG LYS 102 -1.285 -1.530 -21.231 829 1HD LYS 102 2HD LYS 102 -2.935 -0.275 -19.980 830 2HD LYS 102 1HD LYS 102 -2.007 -0.488 -18.493 831 1HE LYS 102 2HE LYS 102 -0.186 0.820 -19.403 832 2HE LYS 102 1HE LYS 102 -1.018 0.953 -20.952 833 1HZ LYS 102 1HZ LYS 102 -1.178 2.919 -19.401 834 2HZ LYS 102 2HZ LYS 102 -2.205 1.972 -18.436 835 3HZ LYS 102 3HZ LYS 102 -2.643 2.344 -20.036 836 H GLU 103 H GLU 103 -3.583 -3.797 -17.270 837 HA GLU 103 HA GLU 103 -3.608 -1.447 -15.712 838 1HB GLU 103 2HB GLU 103 -5.604 -2.731 -16.361 839 2HB GLU 103 1HB GLU 103 -5.081 -4.056 -15.338 840 1HG GLU 103 2HG GLU 103 -5.422 -2.766 -13.367 841 2HG GLU 103 1HG GLU 103 -5.722 -1.307 -14.316 842 H VAL 104 H VAL 104 -2.951 -4.840 -14.816 843 HA VAL 104 HA VAL 104 -2.175 -4.279 -12.153 844 HB VAL 104 HB VAL 104 -1.446 -6.634 -13.908 845 1HG1 VAL 104 1HG1 VAL 104 -0.959 -7.823 -11.815 846 2HG1 VAL 104 2HG1 VAL 104 -1.238 -6.334 -10.912 847 3HG1 VAL 104 3HG1 VAL 104 0.111 -6.439 -12.042 848 1HG2 VAL 104 1HG2 VAL 104 -3.838 -6.434 -13.623 849 2HG2 VAL 104 2HG2 VAL 104 -3.645 -6.258 -11.879 850 3HG2 VAL 104 3HG2 VAL 104 -3.243 -7.787 -12.660 851 H LYS 105 H LYS 105 -0.427 -4.406 -15.183 852 HA LYS 105 HA LYS 105 2.202 -4.462 -14.255 853 1HB LYS 105 2HB LYS 105 1.320 -4.725 -16.632 854 2HB LYS 105 1HB LYS 105 1.268 -2.970 -16.704 855 1HG LYS 105 2HG LYS 105 3.660 -2.849 -16.379 856 2HG LYS 105 1HG LYS 105 3.743 -4.602 -16.177 857 1HD LYS 105 2HD LYS 105 2.830 -4.852 -18.477 858 2HD LYS 105 1HD LYS 105 2.926 -3.101 -18.664 859 1HE LYS 105 2HE LYS 105 5.266 -4.906 -18.064 860 2HE LYS 105 1HE LYS 105 4.842 -4.305 -19.666 861 1HZ LYS 105 1HZ LYS 105 6.540 -2.937 -18.761 862 2HZ LYS 105 2HZ LYS 105 5.694 -2.699 -17.318 863 3HZ LYS 105 3HZ LYS 105 5.112 -2.028 -18.767 864 H LYS 106 H LYS 106 -0.072 -1.818 -14.542 865 HA LYS 106 HA LYS 106 1.757 0.296 -14.047 866 1HB LYS 106 2HB LYS 106 -0.442 0.755 -14.978 867 2HB LYS 106 1HB LYS 106 -1.222 0.086 -13.551 868 1HG LYS 106 2HG LYS 106 -0.126 1.901 -12.215 869 2HG LYS 106 1HG LYS 106 0.390 2.615 -13.744 870 1HD LYS 106 2HD LYS 106 -1.923 2.837 -14.450 871 2HD LYS 106 1HD LYS 106 -2.473 2.051 -12.969 872 1HE LYS 106 2HE LYS 106 -0.924 4.634 -13.081 873 2HE LYS 106 1HE LYS 106 -2.673 4.516 -12.900 874 1HZ LYS 106 1HZ LYS 106 -1.239 4.792 -10.814 875 2HZ LYS 106 2HZ LYS 106 -0.864 3.147 -10.998 876 3HZ LYS 106 3HZ LYS 106 -2.477 3.636 -10.779 877 H LEU 107 H LEU 107 -0.416 -1.560 -11.972 878 HA LEU 107 HA LEU 107 0.059 -0.206 -9.578 879 1HB LEU 107 2HB LEU 107 -1.078 -2.841 -10.310 880 2HB LEU 107 1HB LEU 107 -0.600 -2.611 -8.639 881 HG LEU 107 HG LEU 107 -2.958 -2.122 -8.903 882 1HD1 LEU 107 1HD1 LEU 107 -1.332 0.379 -8.481 883 2HD1 LEU 107 2HD1 LEU 107 -1.700 -0.838 -7.262 884 3HD1 LEU 107 3HD1 LEU 107 -2.998 0.131 -7.958 885 1HD2 LEU 107 1HD2 LEU 107 -2.966 -1.510 -11.265 886 2HD2 LEU 107 2HD2 LEU 107 -2.088 -0.025 -10.891 887 3HD2 LEU 107 3HD2 LEU 107 -3.730 -0.256 -10.286 888 H LYS 108 H LYS 108 1.814 -2.842 -11.080 889 HA LYS 108 HA LYS 108 3.350 -3.728 -8.954 890 1HB LYS 108 2HB LYS 108 3.292 -4.621 -11.336 891 2HB LYS 108 1HB LYS 108 4.394 -3.325 -11.767 892 1HG LYS 108 2HG LYS 108 5.057 -5.319 -9.621 893 2HG LYS 108 1HG LYS 108 5.374 -5.636 -11.325 894 1HD LYS 108 2HD LYS 108 6.824 -3.706 -11.454 895 2HD LYS 108 1HD LYS 108 6.433 -3.261 -9.791 896 1HE LYS 108 2HE LYS 108 7.842 -5.782 -10.671 897 2HE LYS 108 1HE LYS 108 8.609 -4.373 -9.941 898 1HZ LYS 108 1HZ LYS 108 8.177 -6.202 -8.357 899 2HZ LYS 108 2HZ LYS 108 6.511 -6.006 -8.613 900 3HZ LYS 108 3HZ LYS 108 7.417 -4.752 -7.924 901 H GLU 109 H GLU 109 3.727 -0.854 -10.944 902 HA GLU 109 HA GLU 109 6.219 -0.100 -9.716 903 1HB GLU 109 2HB GLU 109 5.637 0.498 -12.061 904 2HB GLU 109 1HB GLU 109 4.357 1.537 -11.450 905 1HG GLU 109 2HG GLU 109 6.199 2.926 -11.964 906 2HG GLU 109 1HG GLU 109 6.112 2.818 -10.206 907 H ASP 110 H ASP 110 2.828 0.909 -9.537 908 HA ASP 110 HA ASP 110 3.124 3.129 -7.863 909 1HB ASP 110 2HB ASP 110 0.792 1.195 -7.951 910 2HB ASP 110 1HB ASP 110 0.757 2.808 -7.255 911 H VAL 111 H VAL 111 2.506 -0.278 -7.021 912 HA VAL 111 HA VAL 111 2.346 0.199 -4.227 913 HB VAL 111 HB VAL 111 3.020 -2.362 -5.689 914 1HG1 VAL 111 1HG1 VAL 111 3.737 -2.492 -3.376 915 2HG1 VAL 111 2HG1 VAL 111 2.303 -3.489 -3.622 916 3HG1 VAL 111 3HG1 VAL 111 2.158 -1.920 -2.831 917 1HG2 VAL 111 1HG2 VAL 111 0.399 -1.312 -4.626 918 2HG2 VAL 111 2HG2 VAL 111 0.654 -2.912 -5.322 919 3HG2 VAL 111 3HG2 VAL 111 0.850 -1.473 -6.323 920 H ARG 112 H ARG 112 5.020 -0.597 -6.387 921 HA ARG 112 HA ARG 112 6.928 -1.179 -4.398 922 1HB ARG 112 2HB ARG 112 7.226 -1.683 -6.826 923 2HB ARG 112 1HB ARG 112 7.448 0.038 -7.116 924 1HG ARG 112 2HG ARG 112 9.403 0.016 -5.624 925 2HG ARG 112 1HG ARG 112 9.199 -1.724 -5.416 926 1HD ARG 112 2HD ARG 112 10.901 -1.298 -7.073 927 2HD ARG 112 1HD ARG 112 9.490 -2.018 -7.847 928 HE ARG 112 HE ARG 112 8.957 0.141 -8.764 929 1HH1 ARG 112 1HH1 ARG 112 12.079 -0.054 -7.171 930 2HH1 ARG 112 2HH1 ARG 112 12.759 1.269 -8.072 931 1HH2 ARG 112 1HH2 ARG 112 9.835 1.858 -9.939 932 2HH2 ARG 112 2HH2 ARG 112 11.474 2.372 -9.643 933 H LYS 113 H LYS 113 5.919 1.847 -5.927 934 HA LYS 113 HA LYS 113 7.870 3.508 -4.788 935 1HB LYS 113 2HB LYS 113 5.040 4.114 -5.650 936 2HB LYS 113 1HB LYS 113 6.207 5.338 -5.199 937 1HG LYS 113 2HG LYS 113 7.667 4.184 -7.042 938 2HG LYS 113 1HG LYS 113 6.097 3.623 -7.622 939 1HD LYS 113 2HD LYS 113 6.622 5.669 -8.755 940 2HD LYS 113 1HD LYS 113 5.328 6.002 -7.603 941 1HE LYS 113 2HE LYS 113 6.896 6.956 -6.042 942 2HE LYS 113 1HE LYS 113 8.254 6.495 -7.066 943 1HZ LYS 113 1HZ LYS 113 7.162 7.969 -8.808 944 2HZ LYS 113 2HZ LYS 113 7.920 8.737 -7.506 945 3HZ LYS 113 3HZ LYS 113 6.229 8.610 -7.539 946 H LEU 114 H LEU 114 4.745 2.397 -3.597 947 HA LEU 114 HA LEU 114 4.695 3.966 -1.255 948 1HB LEU 114 2HB LEU 114 3.248 1.631 -2.339 949 2HB LEU 114 1HB LEU 114 3.228 1.797 -0.602 950 HG LEU 114 HG LEU 114 2.323 4.112 -0.891 951 1HD1 LEU 114 1HD1 LEU 114 3.143 4.510 -3.150 952 2HD1 LEU 114 2HD1 LEU 114 1.398 4.739 -3.044 953 3HD1 LEU 114 3HD1 LEU 114 2.052 3.268 -3.765 954 1HD2 LEU 114 1HD2 LEU 114 0.683 1.916 -2.143 955 2HD2 LEU 114 2HD2 LEU 114 0.063 3.407 -1.432 956 3HD2 LEU 114 3HD2 LEU 114 0.858 2.208 -0.413 957 H VAL 115 H VAL 115 5.881 0.700 -1.957 958 HA VAL 115 HA VAL 115 6.546 -0.007 0.673 959 HB VAL 115 HB VAL 115 7.830 -0.943 -1.898 960 1HG1 VAL 115 1HG1 VAL 115 7.926 -2.170 0.857 961 2HG1 VAL 115 2HG1 VAL 115 9.270 -1.395 0.021 962 3HG1 VAL 115 3HG1 VAL 115 8.579 -2.886 -0.615 963 1HG2 VAL 115 1HG2 VAL 115 6.350 -2.912 -1.601 964 2HG2 VAL 115 2HG2 VAL 115 5.464 -1.412 -1.872 965 3HG2 VAL 115 3HG2 VAL 115 5.578 -2.087 -0.247 966 H ILE 116 H ILE 116 8.553 1.457 -1.873 967 HA ILE 116 HA ILE 116 10.932 1.636 -0.415 968 HB ILE 116 HB ILE 116 9.903 3.549 -2.523 969 1HG1 ILE 116 2HG1 ILE 116 11.753 1.163 -2.778 970 2HG1 ILE 116 1HG1 ILE 116 10.057 1.180 -3.253 971 1HG2 ILE 116 1HG2 ILE 116 12.238 4.176 -2.849 972 2HG2 ILE 116 2HG2 ILE 116 12.719 3.107 -1.533 973 3HG2 ILE 116 3HG2 ILE 116 11.722 4.522 -1.197 974 1HD1 ILE 116 1HD1 ILE 116 12.215 2.914 -4.436 975 2HD1 ILE 116 2HD1 ILE 116 10.526 2.849 -4.941 976 3HD1 ILE 116 3HD1 ILE 116 11.565 1.441 -5.156 977 H PHE 117 H PHE 117 8.045 3.619 -0.356 978 HA PHE 117 HA PHE 117 9.270 5.809 1.012 979 1HB PHE 117 2HB PHE 117 6.696 5.219 -0.143 980 2HB PHE 117 1HB PHE 117 6.506 5.921 1.459 981 HD1 PHE 117 1HD PHE 117 7.689 6.480 -1.951 982 HD2 PHE 117 2HD PHE 117 7.231 8.184 1.923 983 HE1 PHE 117 1HE PHE 117 8.121 8.716 -2.886 984 HE2 PHE 117 2HE PHE 117 7.660 10.419 0.994 985 HZ PHE 117 HZ PHE 117 8.107 10.689 -1.411 986 H ALA 118 H ALA 118 7.420 2.976 1.949 987 HA ALA 118 HA ALA 118 7.124 3.690 4.690 988 1HB ALA 118 1HB ALA 118 7.088 0.956 3.407 989 2HB ALA 118 2HB ALA 118 5.700 2.028 3.584 990 3HB ALA 118 3HB ALA 118 6.484 1.359 5.015 991 H VAL 119 H VAL 119 9.553 1.829 2.896 992 HA VAL 119 HA VAL 119 11.098 1.136 5.185 993 HB VAL 119 HB VAL 119 12.122 1.498 2.359 994 1HG1 VAL 119 1HG1 VAL 119 13.879 1.272 4.009 995 2HG1 VAL 119 2HG1 VAL 119 13.782 -0.179 3.010 996 3HG1 VAL 119 3HG1 VAL 119 13.119 -0.189 4.645 997 1HG2 VAL 119 1HG2 VAL 119 11.667 -0.886 2.031 998 2HG2 VAL 119 2HG2 VAL 119 10.188 0.026 2.325 999 3HG2 VAL 119 3HG2 VAL 119 10.892 -0.951 3.613 1000 H ASN 120 H ASN 120 10.925 3.909 3.079 1001 HA ASN 120 HA ASN 120 13.289 5.202 4.042 1002 1HB ASN 120 2HB ASN 120 11.950 5.549 1.823 1003 2HB ASN 120 1HB ASN 120 10.980 6.654 2.793 1004 1HD2 ASN 120 1HD2 ASN 120 14.020 6.082 1.282 1005 2HD2 ASN 120 2HD2 ASN 120 14.679 7.661 1.532 1006 H SER 121 H SER 121 10.149 4.768 5.224 1007 HA SER 121 HA SER 121 9.759 7.178 6.640 1008 1HB SER 121 2HB SER 121 8.604 4.409 7.038 1009 2HB SER 121 1HB SER 121 8.017 5.859 7.834 1010 HG SER 121 HG SER 121 8.204 5.750 5.022 1011 H LEU 122 H LEU 122 11.522 4.248 7.361 1012 HA LEU 122 HA LEU 122 11.683 4.728 10.183 1013 1HB LEU 122 2HB LEU 122 13.074 2.849 8.307 1014 2HB LEU 122 1HB LEU 122 13.618 3.019 9.964 1015 HG LEU 122 HG LEU 122 11.315 2.369 10.713 1016 1HD1 LEU 122 1HD1 LEU 122 10.082 2.946 8.698 1017 2HD1 LEU 122 2HD1 LEU 122 9.850 1.247 9.112 1018 3HD1 LEU 122 3HD1 LEU 122 10.942 1.693 7.800 1019 1HD2 LEU 122 1HD2 LEU 122 11.614 -0.009 10.274 1020 2HD2 LEU 122 2HD2 LEU 122 13.151 0.761 10.670 1021 3HD2 LEU 122 3HD2 LEU 122 12.770 0.364 8.996 1022 H GLU 123 H GLU 123 13.432 5.809 7.423 1023 HA GLU 123 HA GLU 123 15.634 6.780 9.095 1024 1HB GLU 123 2HB GLU 123 15.353 6.710 6.086 1025 2HB GLU 123 1HB GLU 123 16.763 7.299 6.957 1026 1HG GLU 123 2HG GLU 123 16.920 5.004 7.999 1027 2HG GLU 123 1HG GLU 123 15.712 4.489 6.822 1028 H HIS 124 H HIS 124 12.856 7.861 8.982 1029 HA HIS 124 HA HIS 124 13.410 10.585 8.035 1030 1HB HIS 124 2HB HIS 124 11.000 8.940 8.219 1031 2HB HIS 124 1HB HIS 124 10.778 10.555 8.881 1032 HD1 HIS 124 1HD HIS 124 11.757 8.830 5.648 1033 HD2 HIS 124 2HD HIS 124 10.508 12.551 7.028 1034 HE1 HIS 124 1HE HIS 124 11.264 10.191 3.588 1035 HE2 HIS 124 2HE HIS 124 10.385 12.391 4.449 1036 H HIS 125 H HIS 125 14.296 9.163 10.591 1037 HA HIS 125 HA HIS 125 12.977 10.725 12.647 1038 1HB HIS 125 2HB HIS 125 13.584 8.426 13.188 1039 2HB HIS 125 1HB HIS 125 15.270 8.752 12.804 1040 HD1 HIS 125 1HD HIS 125 16.685 9.234 14.747 1041 HD2 HIS 125 2HD HIS 125 12.699 10.159 15.488 1042 HE1 HIS 125 1HE HIS 125 16.600 9.988 17.149 1043 HE2 HIS 125 2HE HIS 125 14.209 10.709 17.519 1044 H HIS 126 H HIS 126 13.566 12.713 11.632 1045 HA HIS 126 HA HIS 126 16.202 13.656 12.529 1046 1HB HIS 126 2HB HIS 126 16.241 13.367 10.077 1047 2HB HIS 126 1HB HIS 126 14.810 14.378 9.931 1048 HD1 HIS 126 1HD HIS 126 15.181 16.829 9.674 1049 HD2 HIS 126 2HD HIS 126 18.594 14.819 10.954 1050 HE1 HIS 126 1HE HIS 126 17.032 18.531 9.626 1051 HE2 HIS 126 2HE HIS 126 19.125 17.225 10.147 1052 H HIS 127 H HIS 127 16.094 15.500 13.736 1053 HA HIS 127 HA HIS 127 13.612 16.410 14.640 1054 1HB HIS 127 2HB HIS 127 14.778 18.174 15.820 1055 2HB HIS 127 1HB HIS 127 15.681 16.677 15.960 1056 HD1 HIS 127 1HD HIS 127 17.974 16.560 14.657 1057 HD2 HIS 127 2HD HIS 127 16.129 20.289 14.683 1058 HE1 HIS 127 1HE HIS 127 19.748 18.202 13.967 1059 HE2 HIS 127 2HE HIS 127 18.672 20.466 14.232 1060 H HIS 128 H HIS 128 12.142 17.348 13.496 1061 HA HIS 128 HA HIS 128 12.900 18.957 11.202 1062 1HB HIS 128 2HB HIS 128 10.362 18.897 10.765 1063 2HB HIS 128 1HB HIS 128 11.280 17.415 10.553 1064 HD1 HIS 128 1HD HIS 128 8.527 18.914 12.555 1065 HD2 HIS 128 2HD HIS 128 10.786 15.420 12.515 1066 HE1 HIS 128 1HE HIS 128 7.301 17.291 14.039 1067 HE2 HIS 128 2HE HIS 128 8.736 15.211 14.072 1068 H HIS 129 H HIS 129 13.477 20.898 11.848 1069 HA HIS 129 HA HIS 129 11.614 22.459 13.495 1070 1HB HIS 129 2HB HIS 129 13.981 22.372 14.261 1071 2HB HIS 129 1HB HIS 129 14.483 23.076 12.728 1072 HD1 HIS 129 1HD HIS 129 14.271 25.603 12.466 1073 HD2 HIS 129 2HD HIS 129 12.624 24.161 16.005 1074 HE1 HIS 129 1HE HIS 129 13.779 27.634 13.862 1075 HE2 HIS 129 2HE HIS 129 12.921 26.733 16.060 Start of MODEL 15 1 1H MET 1 1HT MET 1 18.627 0.296 7.027 2 2H MET 1 2HT MET 1 19.515 1.552 7.740 3 3H MET 1 3HT MET 1 17.827 1.679 7.604 4 HA MET 1 HA MET 1 19.296 -0.302 9.246 5 1HB MET 1 2HB MET 1 19.372 2.070 10.053 6 2HB MET 1 1HB MET 1 17.619 2.060 10.119 7 1HG MET 1 2HG MET 1 19.299 0.109 11.660 8 2HG MET 1 1HG MET 1 18.862 1.692 12.293 9 1HE MET 1 1HE MET 1 18.229 -0.921 13.871 10 2HE MET 1 2HE MET 1 16.552 -0.685 14.358 11 3HE MET 1 3HE MET 1 17.685 0.664 14.430 12 H SER 2 H SER 2 16.099 1.241 8.759 13 HA SER 2 HA SER 2 14.864 -1.248 9.692 14 1HB SER 2 2HB SER 2 13.631 1.474 9.194 15 2HB SER 2 1HB SER 2 12.800 0.082 9.889 16 HG SER 2 HG SER 2 15.085 0.534 11.233 17 H ILE 3 H ILE 3 15.662 -2.143 7.561 18 HA ILE 3 HA ILE 3 13.627 -1.680 5.475 19 HB ILE 3 HB ILE 3 15.165 -2.560 3.833 20 1HG1 ILE 3 2HG1 ILE 3 17.210 -2.789 6.047 21 2HG1 ILE 3 1HG1 ILE 3 16.316 -4.151 5.385 22 1HG2 ILE 3 1HG2 ILE 3 15.283 -0.178 4.262 23 2HG2 ILE 3 2HG2 ILE 3 16.882 -0.806 3.862 24 3HG2 ILE 3 3HG2 ILE 3 16.470 -0.445 5.539 25 1HD1 ILE 3 1HD1 ILE 3 18.197 -2.374 3.852 26 2HD1 ILE 3 2HD1 ILE 3 17.315 -3.756 3.203 27 3HD1 ILE 3 3HD1 ILE 3 18.549 -3.999 4.439 28 H SER 4 H SER 4 13.447 -3.753 4.063 29 HA SER 4 HA SER 4 12.810 -5.926 3.839 30 1HB SER 4 2HB SER 4 15.119 -6.294 4.961 31 2HB SER 4 1HB SER 4 14.199 -6.596 6.433 32 HG SER 4 HG SER 4 14.721 -8.277 4.454 33 H THR 5 H THR 5 11.212 -4.025 5.087 34 HA THR 5 HA THR 5 10.005 -5.087 7.466 35 HB THR 5 HB THR 5 8.310 -3.252 7.055 36 HG1 THR 5 1HG THR 5 9.940 -1.995 5.230 37 1HG2 THR 5 1HG2 THR 5 10.262 -2.892 8.492 38 2HG2 THR 5 2HG2 THR 5 9.874 -1.432 7.582 39 3HG2 THR 5 3HG2 THR 5 11.224 -2.450 7.082 40 H SER 6 H SER 6 7.505 -5.268 7.460 41 HA SER 6 HA SER 6 6.746 -7.505 6.021 42 1HB SER 6 2HB SER 6 4.397 -6.854 6.667 43 2HB SER 6 1HB SER 6 5.543 -6.868 8.007 44 HG SER 6 HG SER 6 3.990 -4.885 7.276 45 H ALA 7 H ALA 7 6.364 -4.103 5.214 46 HA ALA 7 HA ALA 7 4.677 -4.353 3.001 47 1HB ALA 7 1HB ALA 7 5.206 -2.209 4.056 48 2HB ALA 7 2HB ALA 7 5.501 -2.168 2.318 49 3HB ALA 7 3HB ALA 7 6.855 -2.312 3.440 50 H GLU 8 H GLU 8 8.239 -4.379 3.173 51 HA GLU 8 HA GLU 8 8.582 -4.780 0.376 52 1HB GLU 8 2HB GLU 8 10.469 -5.285 2.683 53 2HB GLU 8 1HB GLU 8 10.922 -5.391 0.986 54 1HG GLU 8 2HG GLU 8 10.231 -3.006 0.738 55 2HG GLU 8 1HG GLU 8 10.012 -2.950 2.485 56 H VAL 9 H VAL 9 8.340 -6.947 3.146 57 HA VAL 9 HA VAL 9 9.019 -9.334 1.825 58 HB VAL 9 HB VAL 9 7.123 -8.953 4.152 59 1HG1 VAL 9 1HG1 VAL 9 8.520 -11.458 3.215 60 2HG1 VAL 9 2HG1 VAL 9 6.799 -11.115 3.034 61 3HG1 VAL 9 3HG1 VAL 9 7.498 -11.300 4.642 62 1HG2 VAL 9 1HG2 VAL 9 9.055 -9.602 5.525 63 2HG2 VAL 9 2HG2 VAL 9 9.354 -8.114 4.626 64 3HG2 VAL 9 3HG2 VAL 9 10.062 -9.634 4.078 65 H TYR 10 H TYR 10 5.827 -7.826 2.352 66 HA TYR 10 HA TYR 10 4.323 -9.748 0.974 67 1HB TYR 10 2HB TYR 10 3.830 -6.796 1.382 68 2HB TYR 10 1HB TYR 10 2.659 -7.875 0.633 69 HD1 TYR 10 2HD TYR 10 3.162 -10.280 2.445 70 HD2 TYR 10 1HD TYR 10 2.579 -6.152 3.291 71 HE1 TYR 10 2HE TYR 10 2.281 -10.863 4.663 72 HE2 TYR 10 1HE TYR 10 1.689 -6.731 5.510 73 HH TYR 10 HH TYR 10 2.050 -9.752 6.913 74 H TYR 11 H TYR 11 6.004 -6.856 -0.187 75 HA TYR 11 HA TYR 11 5.029 -6.993 -2.831 76 1HB TYR 11 2HB TYR 11 6.203 -5.015 -1.755 77 2HB TYR 11 1HB TYR 11 7.716 -5.874 -2.030 78 HD1 TYR 11 2HD TYR 11 4.707 -4.623 -3.833 79 HD2 TYR 11 1HD TYR 11 8.839 -5.613 -4.065 80 HE1 TYR 11 2HE TYR 11 4.788 -3.722 -6.115 81 HE2 TYR 11 1HE TYR 11 8.929 -4.711 -6.351 82 HH TYR 11 HH TYR 11 6.399 -2.838 -7.685 83 H GLU 12 H GLU 12 7.813 -8.465 -1.237 84 HA GLU 12 HA GLU 12 8.979 -9.573 -3.568 85 1HB GLU 12 2HB GLU 12 10.250 -9.358 -1.505 86 2HB GLU 12 1HB GLU 12 9.151 -10.457 -0.681 87 1HG GLU 12 2HG GLU 12 9.862 -12.285 -2.077 88 2HG GLU 12 1HG GLU 12 10.877 -11.206 -3.030 89 H GLU 13 H GLU 13 6.573 -10.788 -1.271 90 HA GLU 13 HA GLU 13 6.331 -13.364 -2.425 91 1HB GLU 13 2HB GLU 13 4.317 -11.754 -0.846 92 2HB GLU 13 1HB GLU 13 4.139 -13.454 -1.254 93 1HG GLU 13 2HG GLU 13 6.224 -13.918 0.015 94 2HG GLU 13 1HG GLU 13 6.246 -12.225 0.508 95 H ALA 14 H ALA 14 4.769 -10.271 -3.091 96 HA ALA 14 HA ALA 14 2.921 -11.171 -5.012 97 1HB ALA 14 1HB ALA 14 2.884 -8.905 -4.079 98 2HB ALA 14 2HB ALA 14 2.922 -8.876 -5.842 99 3HB ALA 14 3HB ALA 14 4.388 -8.535 -4.922 100 H GLU 15 H GLU 15 6.278 -10.085 -5.314 101 HA GLU 15 HA GLU 15 6.584 -10.483 -8.074 102 1HB GLU 15 2HB GLU 15 8.607 -10.672 -5.832 103 2HB GLU 15 1HB GLU 15 9.026 -10.639 -7.536 104 1HG GLU 15 2HG GLU 15 7.491 -8.453 -6.164 105 2HG GLU 15 1HG GLU 15 9.247 -8.466 -6.322 106 H GLU 16 H GLU 16 6.754 -12.686 -5.356 107 HA GLU 16 HA GLU 16 7.896 -14.877 -6.677 108 1HB GLU 16 2HB GLU 16 6.323 -14.493 -4.186 109 2HB GLU 16 1HB GLU 16 6.667 -16.110 -4.745 110 1HG GLU 16 2HG GLU 16 8.685 -13.988 -4.083 111 2HG GLU 16 1HG GLU 16 8.300 -15.409 -3.110 112 H PHE 17 H PHE 17 4.520 -14.147 -5.897 113 HA PHE 17 HA PHE 17 3.514 -16.450 -7.202 114 1HB PHE 17 2HB PHE 17 2.170 -13.911 -6.292 115 2HB PHE 17 1HB PHE 17 1.289 -15.237 -7.044 116 HD1 PHE 17 2HD PHE 17 1.855 -17.613 -5.946 117 HD2 PHE 17 1HD PHE 17 2.183 -13.842 -4.000 118 HE1 PHE 17 2HE PHE 17 1.653 -18.727 -3.759 119 HE2 PHE 17 1HE PHE 17 1.981 -14.949 -1.813 120 HZ PHE 17 HZ PHE 17 1.716 -17.393 -1.691 121 H LEU 18 H LEU 18 4.225 -13.215 -8.289 122 HA LEU 18 HA LEU 18 2.825 -13.228 -10.717 123 1HB LEU 18 2HB LEU 18 3.916 -11.236 -9.761 124 2HB LEU 18 1HB LEU 18 5.485 -11.940 -10.087 125 HG LEU 18 HG LEU 18 5.002 -11.854 -12.511 126 1HD1 LEU 18 1HD1 LEU 18 2.512 -10.388 -11.651 127 2HD1 LEU 18 2HD1 LEU 18 2.568 -11.979 -12.411 128 3HD1 LEU 18 3HD1 LEU 18 3.093 -10.553 -13.308 129 1HD2 LEU 18 1HD2 LEU 18 4.722 -9.238 -11.045 130 2HD2 LEU 18 2HD2 LEU 18 5.196 -9.420 -12.732 131 3HD2 LEU 18 3HD2 LEU 18 6.234 -10.050 -11.452 132 H SER 19 H SER 19 5.969 -14.550 -9.843 133 HA SER 19 HA SER 19 6.438 -15.462 -12.568 134 1HB SER 19 2HB SER 19 8.130 -15.739 -10.073 135 2HB SER 19 1HB SER 19 8.628 -16.194 -11.704 136 HG SER 19 HG SER 19 9.399 -14.141 -11.307 137 H LYS 20 H LYS 20 5.069 -16.612 -9.683 138 HA LYS 20 HA LYS 20 5.501 -19.411 -10.153 139 1HB LYS 20 2HB LYS 20 5.046 -18.468 -7.901 140 2HB LYS 20 1HB LYS 20 3.431 -18.024 -8.432 141 1HG LYS 20 2HG LYS 20 3.323 -20.032 -7.123 142 2HG LYS 20 1HG LYS 20 2.930 -20.410 -8.800 143 1HD LYS 20 2HD LYS 20 4.400 -22.106 -7.833 144 2HD LYS 20 1HD LYS 20 5.202 -21.245 -9.150 145 1HE LYS 20 2HE LYS 20 6.377 -19.850 -7.522 146 2HE LYS 20 1HE LYS 20 5.567 -20.695 -6.204 147 1HZ LYS 20 1HZ LYS 20 6.672 -22.713 -6.799 148 2HZ LYS 20 2HZ LYS 20 7.843 -21.497 -6.645 149 3HZ LYS 20 3HZ LYS 20 7.352 -22.007 -8.184 150 H GLY 21 H GLY 21 3.259 -16.999 -11.180 151 1HA GLY 21 2HA GLY 21 1.908 -17.318 -13.133 152 2HA GLY 21 1HA GLY 21 1.799 -19.029 -12.733 153 H ASP 22 H ASP 22 1.513 -17.042 -10.039 154 HA ASP 22 HA ASP 22 -1.388 -17.424 -10.020 155 1HB ASP 22 2HB ASP 22 0.707 -17.361 -7.886 156 2HB ASP 22 1HB ASP 22 -0.947 -16.928 -7.487 157 H LEU 23 H LEU 23 -1.687 -15.521 -11.303 158 HA LEU 23 HA LEU 23 -0.748 -12.977 -10.595 159 1HB LEU 23 2HB LEU 23 -3.271 -13.722 -12.077 160 2HB LEU 23 1HB LEU 23 -2.579 -12.113 -12.015 161 HG LEU 23 HG LEU 23 -1.273 -14.536 -13.258 162 1HD1 LEU 23 1HD1 LEU 23 -1.673 -13.373 -15.374 163 2HD1 LEU 23 2HD1 LEU 23 -2.543 -12.105 -14.508 164 3HD1 LEU 23 3HD1 LEU 23 -3.181 -13.748 -14.540 165 1HD2 LEU 23 1HD2 LEU 23 0.355 -12.970 -12.317 166 2HD2 LEU 23 2HD2 LEU 23 -0.400 -11.648 -13.206 167 3HD2 LEU 23 3HD2 LEU 23 0.395 -12.958 -14.079 168 H VAL 24 H VAL 24 -3.757 -14.645 -9.781 169 HA VAL 24 HA VAL 24 -5.073 -12.571 -8.482 170 HB VAL 24 HB VAL 24 -5.221 -15.495 -7.747 171 1HG1 VAL 24 1HG1 VAL 24 -7.506 -14.954 -7.035 172 2HG1 VAL 24 2HG1 VAL 24 -7.221 -13.257 -7.422 173 3HG1 VAL 24 3HG1 VAL 24 -6.307 -14.031 -6.129 174 1HG2 VAL 24 1HG2 VAL 24 -5.532 -15.206 -10.138 175 2HG2 VAL 24 2HG2 VAL 24 -6.743 -13.956 -9.848 176 3HG2 VAL 24 3HG2 VAL 24 -7.060 -15.622 -9.362 177 H GLN 25 H GLN 25 -2.991 -15.090 -7.058 178 HA GLN 25 HA GLN 25 -3.179 -14.113 -4.422 179 1HB GLN 25 2HB GLN 25 -1.159 -15.912 -5.749 180 2HB GLN 25 1HB GLN 25 -1.123 -15.531 -4.033 181 1HG GLN 25 2HG GLN 25 -3.458 -16.432 -3.877 182 2HG GLN 25 1HG GLN 25 -3.281 -16.983 -5.541 183 1HE2 GLN 25 1HE2 GLN 25 -1.969 -18.726 -5.995 184 2HE2 GLN 25 2HE2 GLN 25 -1.334 -19.758 -4.760 185 H ALA 26 H ALA 26 -1.110 -13.270 -7.103 186 HA ALA 26 HA ALA 26 0.789 -11.793 -5.554 187 1HB ALA 26 1HB ALA 26 1.570 -10.943 -7.701 188 2HB ALA 26 2HB ALA 26 0.134 -11.589 -8.494 189 3HB ALA 26 3HB ALA 26 1.318 -12.685 -7.780 190 H CYS 27 H CYS 27 -2.103 -10.946 -7.441 191 HA CYS 27 HA CYS 27 -2.003 -8.181 -7.234 192 1HB CYS 27 2HB CYS 27 -4.408 -10.012 -7.284 193 2HB CYS 27 1HB CYS 27 -4.487 -8.267 -7.505 194 HG CYS 27 HG CYS 27 -3.174 -8.189 -9.890 195 H GLU 28 H GLU 28 -3.652 -10.467 -5.063 196 HA GLU 28 HA GLU 28 -4.547 -8.570 -3.204 197 1HB GLU 28 2HB GLU 28 -3.776 -11.447 -2.693 198 2HB GLU 28 1HB GLU 28 -4.784 -10.447 -1.656 199 1HG GLU 28 2HG GLU 28 -6.481 -10.318 -3.375 200 2HG GLU 28 1HG GLU 28 -5.465 -11.252 -4.475 201 H LYS 29 H LYS 29 -1.446 -10.081 -3.648 202 HA LYS 29 HA LYS 29 -0.501 -9.636 -1.001 203 1HB LYS 29 2HB LYS 29 0.308 -11.354 -2.758 204 2HB LYS 29 1HB LYS 29 1.295 -10.033 -3.369 205 1HG LYS 29 2HG LYS 29 2.601 -11.376 -1.875 206 2HG LYS 29 1HG LYS 29 2.311 -9.801 -1.133 207 1HD LYS 29 2HD LYS 29 2.000 -11.466 0.553 208 2HD LYS 29 1HD LYS 29 0.408 -10.838 0.124 209 1HE LYS 29 2HE LYS 29 0.088 -12.782 -1.371 210 2HE LYS 29 1HE LYS 29 1.643 -13.416 -0.837 211 1HZ LYS 29 1HZ LYS 29 -0.760 -12.976 0.853 212 2HZ LYS 29 2HZ LYS 29 0.748 -13.475 1.442 213 3HZ LYS 29 3HZ LYS 29 -0.119 -14.470 0.374 214 H TYR 30 H TYR 30 0.081 -7.913 -4.120 215 HA TYR 30 HA TYR 30 1.669 -5.946 -2.748 216 1HB TYR 30 2HB TYR 30 1.652 -4.660 -4.866 217 2HB TYR 30 1HB TYR 30 2.221 -6.306 -5.058 218 HD1 TYR 30 1HD TYR 30 -0.927 -4.300 -5.435 219 HD2 TYR 30 2HD TYR 30 1.463 -7.522 -6.840 220 HE1 TYR 30 1HE TYR 30 -2.459 -4.599 -7.338 221 HE2 TYR 30 2HE TYR 30 -0.064 -7.837 -8.738 222 HH TYR 30 HH TYR 30 -2.426 -5.576 -9.638 223 H TYR 31 H TYR 31 -1.678 -6.376 -3.418 224 HA TYR 31 HA TYR 31 -2.586 -3.760 -2.923 225 1HB TYR 31 2HB TYR 31 -4.107 -5.408 -3.793 226 2HB TYR 31 1HB TYR 31 -3.838 -6.466 -2.416 227 HD1 TYR 31 2HD TYR 31 -5.209 -3.096 -3.276 228 HD2 TYR 31 1HD TYR 31 -5.298 -6.429 -0.630 229 HE1 TYR 31 2HE TYR 31 -7.165 -2.132 -2.133 230 HE2 TYR 31 1HE TYR 31 -7.249 -5.478 0.518 231 HH TYR 31 HH TYR 31 -8.252 -3.229 0.871 232 H LYS 32 H LYS 32 -1.910 -6.482 -0.761 233 HA LYS 32 HA LYS 32 -2.533 -5.059 1.618 234 1HB LYS 32 2HB LYS 32 -1.070 -7.629 1.068 235 2HB LYS 32 1HB LYS 32 -1.197 -6.972 2.696 236 1HG LYS 32 2HG LYS 32 -3.540 -7.626 0.917 237 2HG LYS 32 1HG LYS 32 -2.924 -8.657 2.213 238 1HD LYS 32 2HD LYS 32 -3.567 -7.157 3.876 239 2HD LYS 32 1HD LYS 32 -3.696 -5.811 2.744 240 1HE LYS 32 2HE LYS 32 -5.639 -6.953 1.700 241 2HE LYS 32 1HE LYS 32 -5.543 -8.181 2.964 242 1HZ LYS 32 1HZ LYS 32 -5.818 -5.296 3.583 243 2HZ LYS 32 2HZ LYS 32 -6.097 -6.619 4.611 244 3HZ LYS 32 3HZ LYS 32 -7.161 -6.297 3.336 245 H ALA 33 H ALA 33 0.426 -5.564 -0.224 246 HA ALA 33 HA ALA 33 2.232 -4.498 1.648 247 1HB ALA 33 1HB ALA 33 3.725 -4.131 -0.254 248 2HB ALA 33 2HB ALA 33 2.382 -4.399 -1.366 249 3HB ALA 33 3HB ALA 33 2.957 -5.716 -0.343 250 H ALA 34 H ALA 34 0.108 -2.975 -0.697 251 HA ALA 34 HA ALA 34 1.186 -0.365 -0.509 252 1HB ALA 34 1HB ALA 34 -1.594 -1.224 -1.294 253 2HB ALA 34 2HB ALA 34 -0.210 -1.076 -2.378 254 3HB ALA 34 3HB ALA 34 -0.876 0.358 -1.593 255 H GLU 35 H GLU 35 -1.668 -1.859 1.049 256 HA GLU 35 HA GLU 35 -2.330 0.471 2.518 257 1HB GLU 35 2HB GLU 35 -3.833 -1.000 3.812 258 2HB GLU 35 1HB GLU 35 -4.013 -1.196 2.079 259 1HG GLU 35 2HG GLU 35 -2.665 -3.237 2.175 260 2HG GLU 35 1HG GLU 35 -2.529 -3.043 3.923 261 H GLU 36 H GLU 36 -0.318 -2.309 3.198 262 HA GLU 36 HA GLU 36 0.245 -1.900 5.884 263 1HB GLU 36 2HB GLU 36 1.710 -3.104 3.600 264 2HB GLU 36 1HB GLU 36 2.656 -2.706 5.028 265 1HG GLU 36 2HG GLU 36 0.169 -4.392 5.077 266 2HG GLU 36 1HG GLU 36 1.808 -5.036 4.962 267 H ALA 37 H ALA 37 1.868 -0.503 3.055 268 HA ALA 37 HA ALA 37 3.744 1.039 4.478 269 1HB ALA 37 1HB ALA 37 2.573 1.538 1.739 270 2HB ALA 37 2HB ALA 37 3.971 0.526 2.099 271 3HB ALA 37 3HB ALA 37 4.045 2.264 2.385 272 H ILE 38 H ILE 38 0.422 1.672 3.518 273 HA ILE 38 HA ILE 38 0.305 4.422 3.889 274 HB ILE 38 HB ILE 38 -1.842 2.365 4.449 275 1HG1 ILE 38 2HG1 ILE 38 -1.051 2.374 2.126 276 2HG1 ILE 38 1HG1 ILE 38 -2.689 3.009 2.229 277 1HG2 ILE 38 1HG2 ILE 38 -2.342 4.441 5.622 278 2HG2 ILE 38 2HG2 ILE 38 -3.442 4.217 4.261 279 3HG2 ILE 38 3HG2 ILE 38 -2.099 5.356 4.136 280 1HD1 ILE 38 1HD1 ILE 38 -1.830 5.279 2.050 281 2HD1 ILE 38 2HD1 ILE 38 -1.318 4.291 0.680 282 3HD1 ILE 38 3HD1 ILE 38 -0.182 4.656 1.979 283 H LYS 39 H LYS 39 -0.162 1.837 6.322 284 HA LYS 39 HA LYS 39 -0.797 3.655 8.406 285 1HB LYS 39 2HB LYS 39 -0.793 1.830 9.887 286 2HB LYS 39 1HB LYS 39 -1.328 1.160 8.355 287 1HG LYS 39 2HG LYS 39 0.839 0.191 7.965 288 2HG LYS 39 1HG LYS 39 1.482 0.973 9.412 289 1HD LYS 39 2HD LYS 39 -0.297 -0.291 10.707 290 2HD LYS 39 1HD LYS 39 -0.559 -1.233 9.237 291 1HE LYS 39 2HE LYS 39 2.049 -0.960 10.725 292 2HE LYS 39 1HE LYS 39 0.980 -2.360 10.771 293 1HZ LYS 39 1HZ LYS 39 2.852 -2.655 9.242 294 2HZ LYS 39 2HZ LYS 39 2.322 -1.331 8.331 295 3HZ LYS 39 3HZ LYS 39 1.361 -2.725 8.432 296 H LEU 40 H LEU 40 2.235 2.281 7.256 297 HA LEU 40 HA LEU 40 3.913 3.170 9.302 298 1HB LEU 40 2HB LEU 40 4.252 2.470 6.435 299 2HB LEU 40 1HB LEU 40 5.558 3.331 7.208 300 HG LEU 40 HG LEU 40 5.528 1.513 8.963 301 1HD1 LEU 40 1HD1 LEU 40 3.869 0.109 6.896 302 2HD1 LEU 40 2HD1 LEU 40 3.336 0.600 8.504 303 3HD1 LEU 40 3HD1 LEU 40 4.584 -0.634 8.326 304 1HD2 LEU 40 1HD2 LEU 40 7.255 1.659 7.259 305 2HD2 LEU 40 2HD2 LEU 40 6.233 0.760 6.137 306 3HD2 LEU 40 3HD2 LEU 40 6.845 -0.023 7.595 307 H LEU 41 H LEU 41 2.842 4.777 6.328 308 HA LEU 41 HA LEU 41 4.243 7.185 6.678 309 1HB LEU 41 2HB LEU 41 1.835 6.357 5.139 310 2HB LEU 41 1HB LEU 41 2.121 8.072 5.345 311 HG LEU 41 HG LEU 41 4.301 7.861 4.257 312 1HD1 LEU 41 1HD1 LEU 41 4.971 5.795 3.172 313 2HD1 LEU 41 2HD1 LEU 41 3.577 4.967 3.864 314 3HD1 LEU 41 3HD1 LEU 41 4.849 5.583 4.919 315 1HD2 LEU 41 1HD2 LEU 41 2.359 8.362 2.901 316 2HD2 LEU 41 2HD2 LEU 41 2.039 6.641 2.688 317 3HD2 LEU 41 3HD2 LEU 41 3.497 7.358 2.003 318 H VAL 42 H VAL 42 1.041 6.169 7.763 319 HA VAL 42 HA VAL 42 0.148 8.585 8.833 320 HB VAL 42 HB VAL 42 -0.452 5.766 9.751 321 1HG1 VAL 42 1HG1 VAL 42 -1.996 8.289 10.333 322 2HG1 VAL 42 2HG1 VAL 42 -0.980 7.430 11.490 323 3HG1 VAL 42 3HG1 VAL 42 -2.423 6.654 10.836 324 1HG2 VAL 42 1HG2 VAL 42 -1.058 6.125 7.444 325 2HG2 VAL 42 2HG2 VAL 42 -1.896 7.619 7.861 326 3HG2 VAL 42 3HG2 VAL 42 -2.521 6.069 8.426 327 H ILE 43 H ILE 43 1.984 5.963 10.404 328 HA ILE 43 HA ILE 43 1.980 7.197 12.961 329 HB ILE 43 HB ILE 43 3.839 5.080 11.877 330 1HG1 ILE 43 2HG1 ILE 43 1.432 4.504 11.695 331 2HG1 ILE 43 1HG1 ILE 43 2.298 3.466 12.816 332 1HG2 ILE 43 1HG2 ILE 43 3.151 5.823 14.714 333 2HG2 ILE 43 2HG2 ILE 43 4.689 6.119 13.903 334 3HG2 ILE 43 3HG2 ILE 43 4.164 4.466 14.221 335 1HD1 ILE 43 1HD1 ILE 43 1.388 4.760 14.688 336 2HD1 ILE 43 2HD1 ILE 43 0.118 4.060 13.684 337 3HD1 ILE 43 3HD1 ILE 43 0.509 5.775 13.544 338 H GLU 44 H GLU 44 4.537 6.904 10.474 339 HA GLU 44 HA GLU 44 6.468 8.221 12.063 340 1HB GLU 44 2HB GLU 44 6.370 6.785 9.615 341 2HB GLU 44 1HB GLU 44 7.218 8.301 9.333 342 1HG GLU 44 2HG GLU 44 8.694 6.428 9.994 343 2HG GLU 44 1HG GLU 44 8.775 7.831 11.052 344 H ASN 45 H ASN 45 4.088 9.422 9.818 345 HA ASN 45 HA ASN 45 5.390 12.038 9.818 346 1HB ASN 45 2HB ASN 45 2.999 10.970 8.322 347 2HB ASN 45 1HB ASN 45 3.452 12.668 8.308 348 1HD2 ASN 45 1HD2 ASN 45 4.230 9.491 7.225 349 2HD2 ASN 45 2HD2 ASN 45 5.471 9.948 6.107 350 H ASN 46 H ASN 46 3.283 10.297 11.649 351 HA ASN 46 HA ASN 46 2.038 10.751 13.466 352 1HB ASN 46 2HB ASN 46 3.943 12.148 14.123 353 2HB ASN 46 1HB ASN 46 3.255 13.510 13.246 354 1HD2 ASN 46 1HD2 ASN 46 3.097 14.813 15.012 355 2HD2 ASN 46 2HD2 ASN 46 1.979 14.533 16.305 356 H LEU 47 H LEU 47 0.215 10.446 12.005 357 HA LEU 47 HA LEU 47 -1.337 12.884 11.576 358 1HB LEU 47 2HB LEU 47 -1.886 10.021 10.820 359 2HB LEU 47 1HB LEU 47 -2.954 11.357 10.474 360 HG LEU 47 HG LEU 47 -0.175 10.977 9.367 361 1HD1 LEU 47 1HD1 LEU 47 -2.881 10.826 8.045 362 2HD1 LEU 47 2HD1 LEU 47 -1.817 9.463 8.397 363 3HD1 LEU 47 3HD1 LEU 47 -1.323 10.689 7.229 364 1HD2 LEU 47 1HD2 LEU 47 -2.192 13.160 8.849 365 2HD2 LEU 47 2HD2 LEU 47 -0.667 12.940 7.991 366 3HD2 LEU 47 3HD2 LEU 47 -0.661 13.337 9.710 367 H LYS 48 H LYS 48 -2.019 13.513 13.544 368 HA LYS 48 HA LYS 48 -2.763 11.729 15.629 369 1HB LYS 48 2HB LYS 48 -1.918 14.102 15.900 370 2HB LYS 48 1HB LYS 48 -3.510 14.652 15.401 371 1HG LYS 48 2HG LYS 48 -3.763 14.722 17.659 372 2HG LYS 48 1HG LYS 48 -4.294 13.068 17.358 373 1HD LYS 48 2HD LYS 48 -1.504 13.875 18.184 374 2HD LYS 48 1HD LYS 48 -2.739 13.245 19.271 375 1HE LYS 48 2HE LYS 48 -2.782 11.148 18.028 376 2HE LYS 48 1HE LYS 48 -1.588 11.782 16.895 377 1HZ LYS 48 1HZ LYS 48 -0.033 11.997 18.774 378 2HZ LYS 48 2HZ LYS 48 -0.511 10.389 18.504 379 3HZ LYS 48 3HZ LYS 48 -1.179 11.266 19.792 380 H GLU 49 H GLU 49 -4.536 13.553 13.218 381 HA GLU 49 HA GLU 49 -7.122 13.221 14.219 382 1HB GLU 49 2HB GLU 49 -6.335 13.381 11.318 383 2HB GLU 49 1HB GLU 49 -7.866 13.855 12.033 384 1HG GLU 49 2HG GLU 49 -6.776 15.655 13.241 385 2HG GLU 49 1HG GLU 49 -5.216 15.167 12.583 386 H ILE 50 H ILE 50 -5.110 11.146 12.239 387 HA ILE 50 HA ILE 50 -7.241 9.298 11.641 388 HB ILE 50 HB ILE 50 -4.267 9.117 11.144 389 1HG1 ILE 50 2HG1 ILE 50 -5.342 10.898 9.880 390 2HG1 ILE 50 1HG1 ILE 50 -4.898 9.580 8.804 391 1HG2 ILE 50 1HG2 ILE 50 -5.248 6.894 11.306 392 2HG2 ILE 50 2HG2 ILE 50 -4.779 7.263 9.646 393 3HG2 ILE 50 3HG2 ILE 50 -6.476 7.343 10.120 394 1HD1 ILE 50 1HD1 ILE 50 -7.208 8.806 8.774 395 2HD1 ILE 50 2HD1 ILE 50 -7.096 10.491 8.263 396 3HD1 ILE 50 3HD1 ILE 50 -7.661 10.098 9.886 397 H THR 51 H THR 51 -4.420 9.390 13.776 398 HA THR 51 HA THR 51 -4.629 6.721 14.668 399 HB THR 51 HB THR 51 -3.271 7.653 16.675 400 HG1 THR 51 1HG THR 51 -2.752 9.797 14.918 401 1HG2 THR 51 1HG2 THR 51 -2.266 6.375 14.876 402 2HG2 THR 51 2HG2 THR 51 -1.231 7.748 15.277 403 3HG2 THR 51 3HG2 THR 51 -2.249 7.799 13.838 404 H ASN 52 H ASN 52 -5.831 9.776 16.026 405 HA ASN 52 HA ASN 52 -7.016 8.742 18.343 406 1HB ASN 52 2HB ASN 52 -7.700 11.118 16.613 407 2HB ASN 52 1HB ASN 52 -8.623 10.733 18.061 408 1HD2 ASN 52 1HD2 ASN 52 -8.028 12.694 18.990 409 2HD2 ASN 52 2HD2 ASN 52 -6.447 12.950 19.636 410 H ASN 53 H ASN 53 -8.175 8.904 15.033 411 HA ASN 53 HA ASN 53 -10.852 8.149 15.700 412 1HB ASN 53 2HB ASN 53 -9.367 8.846 13.245 413 2HB ASN 53 1HB ASN 53 -10.729 7.752 13.033 414 1HD2 ASN 53 1HD2 ASN 53 -9.724 10.951 13.869 415 2HD2 ASN 53 2HD2 ASN 53 -11.306 11.662 13.888 416 H VAL 54 H VAL 54 -7.995 6.454 14.480 417 HA VAL 54 HA VAL 54 -9.482 4.061 13.904 418 HB VAL 54 HB VAL 54 -7.300 4.787 12.786 419 1HG1 VAL 54 1HG1 VAL 54 -5.969 5.225 14.755 420 2HG1 VAL 54 2HG1 VAL 54 -5.227 3.951 13.785 421 3HG1 VAL 54 3HG1 VAL 54 -6.114 3.538 15.251 422 1HG2 VAL 54 1HG2 VAL 54 -7.550 1.953 13.783 423 2HG2 VAL 54 2HG2 VAL 54 -6.602 2.472 12.389 424 3HG2 VAL 54 3HG2 VAL 54 -8.358 2.634 12.371 425 H LYS 55 H LYS 55 -7.932 5.418 16.621 426 HA LYS 55 HA LYS 55 -7.419 3.119 18.162 427 1HB LYS 55 2HB LYS 55 -6.585 5.437 18.605 428 2HB LYS 55 1HB LYS 55 -8.189 5.859 19.170 429 1HG LYS 55 2HG LYS 55 -8.024 4.488 21.052 430 2HG LYS 55 1HG LYS 55 -6.654 3.594 20.388 431 1HD LYS 55 2HD LYS 55 -5.252 5.580 20.588 432 2HD LYS 55 1HD LYS 55 -6.624 6.495 21.216 433 1HE LYS 55 2HE LYS 55 -6.689 5.231 23.201 434 2HE LYS 55 1HE LYS 55 -5.626 3.989 22.538 435 1HZ LYS 55 1HZ LYS 55 -4.745 6.789 22.944 436 2HZ LYS 55 2HZ LYS 55 -3.785 5.416 22.673 437 3HZ LYS 55 3HZ LYS 55 -4.598 5.605 24.147 438 H ASN 56 H ASN 56 -10.319 4.637 17.266 439 HA ASN 56 HA ASN 56 -12.026 3.887 19.387 440 1HB ASN 56 2HB ASN 56 -12.684 5.436 17.557 441 2HB ASN 56 1HB ASN 56 -12.705 4.078 16.440 442 1HD2 ASN 56 1HD2 ASN 56 -14.300 5.631 19.098 443 2HD2 ASN 56 2HD2 ASN 56 -15.776 4.735 19.008 444 H LYS 57 H LYS 57 -10.834 2.193 16.574 445 HA LYS 57 HA LYS 57 -12.168 -0.270 17.393 446 1HB LYS 57 2HB LYS 57 -11.123 0.864 14.863 447 2HB LYS 57 1HB LYS 57 -10.931 -0.861 15.073 448 1HG LYS 57 2HG LYS 57 -13.595 0.394 15.519 449 2HG LYS 57 1HG LYS 57 -13.026 0.078 13.880 450 1HD LYS 57 2HD LYS 57 -12.641 -2.294 14.541 451 2HD LYS 57 1HD LYS 57 -13.383 -1.935 16.099 452 1HE LYS 57 2HE LYS 57 -15.469 -1.386 15.041 453 2HE LYS 57 1HE LYS 57 -14.743 -1.535 13.442 454 1HZ LYS 57 1HZ LYS 57 -15.129 -3.743 15.396 455 2HZ LYS 57 2HZ LYS 57 -14.375 -3.897 13.888 456 3HZ LYS 57 3HZ LYS 57 -16.020 -3.493 13.976 457 H GLY 58 H GLY 58 -10.712 -2.270 16.891 458 1HA GLY 58 2HA GLY 58 -7.949 -1.734 17.811 459 2HA GLY 58 1HA GLY 58 -8.830 -3.223 18.146 460 H ARG 59 H ARG 59 -9.102 -1.611 15.131 461 HA ARG 59 HA ARG 59 -7.260 -3.344 13.728 462 1HB ARG 59 2HB ARG 59 -9.396 -4.663 14.073 463 2HB ARG 59 1HB ARG 59 -10.224 -3.449 13.113 464 1HG ARG 59 2HG ARG 59 -9.750 -5.326 11.723 465 2HG ARG 59 1HG ARG 59 -8.704 -3.993 11.225 466 1HD ARG 59 2HD ARG 59 -6.830 -4.949 12.336 467 2HD ARG 59 1HD ARG 59 -7.842 -6.152 13.134 468 HE ARG 59 HE ARG 59 -8.017 -6.363 10.297 469 1HH1 ARG 59 1HH1 ARG 59 -5.957 -7.105 13.036 470 2HH1 ARG 59 2HH1 ARG 59 -5.223 -8.488 12.274 471 1HH2 ARG 59 1HH2 ARG 59 -7.066 -8.204 9.298 472 2HH2 ARG 59 2HH2 ARG 59 -5.857 -9.110 10.155 473 H TRP 60 H TRP 60 -6.760 -2.485 11.675 474 HA TRP 60 HA TRP 60 -7.600 0.240 11.266 475 1HB TRP 60 2HB TRP 60 -5.617 -1.549 9.903 476 2HB TRP 60 1HB TRP 60 -6.102 -0.025 9.171 477 HD1 TRP 60 HD TRP 60 -4.624 -1.233 12.561 478 HE1 TRP 60 1HE TRP 60 -3.023 0.592 13.414 479 HE3 TRP 60 3HE TRP 60 -5.328 2.242 8.881 480 HZ2 TRP 60 2HZ TRP 60 -2.174 3.167 12.632 481 HZ3 TRP 60 3HZ TRP 60 -4.084 4.360 9.009 482 HH2 TRP 60 HH TRP 60 -2.540 4.811 10.845 483 H LYS 61 H LYS 61 -9.070 0.940 9.920 484 HA LYS 61 HA LYS 61 -10.630 -1.023 8.420 485 1HB LYS 61 2HB LYS 61 -11.298 1.124 10.074 486 2HB LYS 61 1HB LYS 61 -11.653 1.706 8.455 487 1HG LYS 61 2HG LYS 61 -12.655 -0.957 9.380 488 2HG LYS 61 1HG LYS 61 -13.503 0.531 9.802 489 1HD LYS 61 2HD LYS 61 -13.622 1.077 7.374 490 2HD LYS 61 1HD LYS 61 -12.915 -0.505 7.030 491 1HE LYS 61 2HE LYS 61 -14.793 -1.642 7.902 492 2HE LYS 61 1HE LYS 61 -15.422 -0.176 8.657 493 1HZ LYS 61 1HZ LYS 61 -16.667 -0.690 6.681 494 2HZ LYS 61 2HZ LYS 61 -15.259 -0.714 5.737 495 3HZ LYS 61 3HZ LYS 61 -15.791 0.744 6.433 496 H SER 62 H SER 62 -10.981 -0.852 6.213 497 HA SER 62 HA SER 62 -8.890 0.160 4.663 498 1HB SER 62 2HB SER 62 -10.514 -0.292 2.732 499 2HB SER 62 1HB SER 62 -10.118 -1.654 3.782 500 HG SER 62 HG SER 62 -12.499 -0.831 3.194 501 H GLU 63 H GLU 63 -12.046 1.556 5.419 502 HA GLU 63 HA GLU 63 -11.911 3.675 3.555 503 1HB GLU 63 2HB GLU 63 -13.726 4.673 4.905 504 2HB GLU 63 1HB GLU 63 -14.031 2.998 4.479 505 1HG GLU 63 2HG GLU 63 -13.271 2.331 6.735 506 2HG GLU 63 1HG GLU 63 -13.098 4.036 7.145 507 H ASN 64 H ASN 64 -10.592 3.233 6.740 508 HA ASN 64 HA ASN 64 -10.108 5.985 7.313 509 1HB ASN 64 2HB ASN 64 -10.160 4.059 8.992 510 2HB ASN 64 1HB ASN 64 -8.552 3.639 8.412 511 1HD2 ASN 64 1HD2 ASN 64 -7.450 4.068 10.243 512 2HD2 ASN 64 2HD2 ASN 64 -7.293 5.643 10.932 513 H LEU 65 H LEU 65 -8.408 3.436 5.657 514 HA LEU 65 HA LEU 65 -5.859 4.628 5.484 515 1HB LEU 65 2HB LEU 65 -7.179 2.685 3.584 516 2HB LEU 65 1HB LEU 65 -5.462 3.025 3.672 517 HG LEU 65 HG LEU 65 -7.057 1.803 5.927 518 1HD1 LEU 65 1HD1 LEU 65 -5.260 0.486 3.898 519 2HD1 LEU 65 2HD1 LEU 65 -7.012 0.309 4.005 520 3HD1 LEU 65 3HD1 LEU 65 -5.983 -0.301 5.302 521 1HD2 LEU 65 1HD2 LEU 65 -4.093 2.112 5.478 522 2HD2 LEU 65 2HD2 LEU 65 -4.843 1.248 6.820 523 3HD2 LEU 65 3HD2 LEU 65 -5.063 2.991 6.657 524 H PHE 66 H PHE 66 -8.720 4.797 3.429 525 HA PHE 66 HA PHE 66 -7.523 6.226 1.299 526 1HB PHE 66 2HB PHE 66 -9.661 5.016 1.065 527 2HB PHE 66 1HB PHE 66 -10.424 6.160 2.163 528 HD1 PHE 66 1HD PHE 66 -8.659 5.956 -1.098 529 HD2 PHE 66 2HD PHE 66 -11.415 8.090 1.339 530 HE1 PHE 66 1HE PHE 66 -9.223 7.395 -3.009 531 HE2 PHE 66 2HE PHE 66 -11.989 9.534 -0.570 532 HZ PHE 66 HZ PHE 66 -10.893 9.186 -2.748 533 H LYS 67 H LYS 67 -9.202 7.207 4.229 534 HA LYS 67 HA LYS 67 -9.343 9.974 3.742 535 1HB LYS 67 2HB LYS 67 -10.409 8.504 5.603 536 2HB LYS 67 1HB LYS 67 -8.919 8.802 6.475 537 1HG LYS 67 2HG LYS 67 -9.307 11.196 6.380 538 2HG LYS 67 1HG LYS 67 -10.788 10.933 5.456 539 1HD LYS 67 2HD LYS 67 -10.260 9.948 8.263 540 2HD LYS 67 1HD LYS 67 -11.258 11.337 7.829 541 1HE LYS 67 2HE LYS 67 -12.758 9.861 6.575 542 2HE LYS 67 1HE LYS 67 -11.759 8.475 7.015 543 1HZ LYS 67 1HZ LYS 67 -12.268 8.923 9.351 544 2HZ LYS 67 2HZ LYS 67 -13.674 8.626 8.451 545 3HZ LYS 67 3HZ LYS 67 -13.269 10.215 8.892 546 H ALA 68 H ALA 68 -7.018 8.036 5.553 547 HA ALA 68 HA ALA 68 -5.221 10.030 6.277 548 1HB ALA 68 1HB ALA 68 -4.581 7.160 5.607 549 2HB ALA 68 2HB ALA 68 -5.169 7.745 7.164 550 3HB ALA 68 3HB ALA 68 -3.587 8.252 6.571 551 H SER 69 H SER 69 -5.277 8.059 3.322 552 HA SER 69 HA SER 69 -2.878 9.043 2.228 553 1HB SER 69 2HB SER 69 -5.296 7.937 0.779 554 2HB SER 69 1HB SER 69 -3.665 8.071 0.123 555 HG SER 69 HG SER 69 -4.623 6.384 2.175 556 H LYS 70 H LYS 70 -6.163 10.232 2.148 557 HA LYS 70 HA LYS 70 -5.861 12.155 0.091 558 1HB LYS 70 2HB LYS 70 -8.018 11.303 1.094 559 2HB LYS 70 1HB LYS 70 -7.697 12.319 2.480 560 1HG LYS 70 2HG LYS 70 -7.844 14.305 1.154 561 2HG LYS 70 1HG LYS 70 -7.965 13.357 -0.331 562 1HD LYS 70 2HD LYS 70 -10.098 12.458 0.375 563 2HD LYS 70 1HD LYS 70 -9.964 13.282 1.929 564 1HE LYS 70 2HE LYS 70 -9.988 14.730 -0.708 565 2HE LYS 70 1HE LYS 70 -11.453 14.381 0.208 566 1HZ LYS 70 1HZ LYS 70 -9.144 15.932 1.264 567 2HZ LYS 70 2HZ LYS 70 -10.641 15.693 2.026 568 3HZ LYS 70 3HZ LYS 70 -10.548 16.624 0.609 569 H LEU 71 H LEU 71 -5.667 12.336 3.592 570 HA LEU 71 HA LEU 71 -5.033 15.069 3.818 571 1HB LEU 71 2HB LEU 71 -4.225 12.818 5.663 572 2HB LEU 71 1HB LEU 71 -4.247 14.523 6.068 573 HG LEU 71 HG LEU 71 -6.666 12.839 5.408 574 1HD1 LEU 71 1HD1 LEU 71 -5.696 13.991 8.018 575 2HD1 LEU 71 2HD1 LEU 71 -5.726 12.285 7.573 576 3HD1 LEU 71 3HD1 LEU 71 -7.238 13.173 7.768 577 1HD2 LEU 71 1HD2 LEU 71 -7.949 14.811 6.116 578 2HD2 LEU 71 2HD2 LEU 71 -6.974 15.133 4.680 579 3HD2 LEU 71 3HD2 LEU 71 -6.447 15.725 6.256 580 H LEU 72 H LEU 72 -3.015 12.260 3.243 581 HA LEU 72 HA LEU 72 -0.544 13.632 3.728 582 1HB LEU 72 2HB LEU 72 -1.181 10.965 2.490 583 2HB LEU 72 1HB LEU 72 0.456 11.558 2.695 584 HG LEU 72 HG LEU 72 -1.502 11.074 4.943 585 1HD1 LEU 72 1HD1 LEU 72 -0.101 9.162 5.488 586 2HD1 LEU 72 2HD1 LEU 72 0.904 9.480 4.074 587 3HD1 LEU 72 3HD1 LEU 72 -0.779 8.998 3.867 588 1HD2 LEU 72 1HD2 LEU 72 0.108 12.851 5.426 589 2HD2 LEU 72 2HD2 LEU 72 1.433 11.773 4.986 590 3HD2 LEU 72 3HD2 LEU 72 0.431 11.412 6.392 591 H ARG 73 H ARG 73 -2.662 14.072 1.312 592 HA ARG 73 HA ARG 73 -1.124 13.944 -1.036 593 1HB ARG 73 2HB ARG 73 -3.568 14.191 -1.035 594 2HB ARG 73 1HB ARG 73 -3.412 15.805 -0.361 595 1HG ARG 73 2HG ARG 73 -2.046 15.204 -2.933 596 2HG ARG 73 1HG ARG 73 -3.797 15.415 -2.929 597 1HD ARG 73 2HD ARG 73 -3.599 17.623 -2.041 598 2HD ARG 73 1HD ARG 73 -1.874 17.408 -1.743 599 HE ARG 73 HE ARG 73 -2.057 17.027 -4.406 600 1HH1 ARG 73 1HH1 ARG 73 -3.236 19.583 -2.309 601 2HH1 ARG 73 2HH1 ARG 73 -3.078 20.825 -3.512 602 1HH2 ARG 73 1HH2 ARG 73 -1.876 18.650 -6.000 603 2HH2 ARG 73 2HH2 ARG 73 -2.348 20.283 -5.627 604 H SER 74 H SER 74 -1.320 16.357 1.498 605 HA SER 74 HA SER 74 0.042 18.398 0.043 606 1HB SER 74 2HB SER 74 -1.452 18.765 2.043 607 2HB SER 74 1HB SER 74 -0.148 18.131 3.048 608 HG SER 74 HG SER 74 0.612 20.081 3.019 609 H ASN 75 H ASN 75 1.031 15.617 1.812 610 HA ASN 75 HA ASN 75 3.779 16.452 2.167 611 1HB ASN 75 2HB ASN 75 2.535 14.828 3.686 612 2HB ASN 75 1HB ASN 75 2.634 13.653 2.382 613 1HD2 ASN 75 1HD2 ASN 75 3.717 13.575 5.072 614 2HD2 ASN 75 2HD2 ASN 75 5.419 13.342 4.911 615 H ASN 76 H ASN 76 2.100 13.957 0.275 616 HA ASN 76 HA ASN 76 3.844 14.520 -2.003 617 1HB ASN 76 2HB ASN 76 4.879 12.593 -0.836 618 2HB ASN 76 1HB ASN 76 3.350 11.729 -0.920 619 1HD2 ASN 76 1HD2 ASN 76 4.855 13.703 -3.450 620 2HD2 ASN 76 2HD2 ASN 76 5.077 12.401 -4.571 621 H THR 77 H THR 77 2.445 15.037 -3.571 622 HA THR 77 HA THR 77 -0.330 14.541 -3.265 623 HB THR 77 HB THR 77 0.715 16.557 -4.401 624 HG1 THR 77 1HG THR 77 -1.032 16.258 -6.228 625 1HG2 THR 77 1HG2 THR 77 2.243 15.366 -5.904 626 2HG2 THR 77 2HG2 THR 77 1.131 16.396 -6.806 627 3HG2 THR 77 3HG2 THR 77 0.865 14.654 -6.743 628 H GLU 78 H GLU 78 2.122 12.613 -4.498 629 HA GLU 78 HA GLU 78 0.644 11.247 -6.513 630 1HB GLU 78 2HB GLU 78 3.148 10.515 -5.001 631 2HB GLU 78 1HB GLU 78 2.515 9.619 -6.367 632 1HG GLU 78 2HG GLU 78 2.871 11.476 -7.835 633 2HG GLU 78 1HG GLU 78 3.324 12.510 -6.481 634 H ILE 79 H ILE 79 1.054 10.934 -3.065 635 HA ILE 79 HA ILE 79 0.570 8.256 -2.640 636 HB ILE 79 HB ILE 79 -0.289 10.560 -0.890 637 1HG1 ILE 79 2HG1 ILE 79 2.168 8.799 -0.781 638 2HG1 ILE 79 1HG1 ILE 79 2.137 10.443 -1.408 639 1HG2 ILE 79 1HG2 ILE 79 -1.496 8.519 -0.313 640 2HG2 ILE 79 2HG2 ILE 79 -0.326 8.940 0.937 641 3HG2 ILE 79 3HG2 ILE 79 0.029 7.640 -0.200 642 1HD1 ILE 79 1HD1 ILE 79 3.024 10.389 0.842 643 2HD1 ILE 79 2HD1 ILE 79 1.552 9.612 1.427 644 3HD1 ILE 79 3HD1 ILE 79 1.492 11.262 0.805 645 HA PRO 80 HA PRO 80 -4.229 9.073 -2.156 646 1HB PRO 80 2HB PRO 80 -5.136 11.206 -3.674 647 2HB PRO 80 1HB PRO 80 -4.885 11.238 -1.927 648 1HG PRO 80 2HG PRO 80 -3.102 12.207 -4.118 649 2HG PRO 80 1HG PRO 80 -3.442 12.940 -2.539 650 1HD PRO 80 2HD PRO 80 -1.162 11.612 -2.995 651 2HD PRO 80 1HD PRO 80 -1.989 11.513 -1.425 652 H ILE 81 H ILE 81 -2.529 9.935 -5.116 653 HA ILE 81 HA ILE 81 -4.507 8.815 -6.870 654 HB ILE 81 HB ILE 81 -1.626 9.530 -7.456 655 1HG1 ILE 81 2HG1 ILE 81 -4.148 11.156 -7.863 656 2HG1 ILE 81 1HG1 ILE 81 -2.955 11.441 -6.604 657 1HG2 ILE 81 1HG2 ILE 81 -2.630 8.005 -9.098 658 2HG2 ILE 81 2HG2 ILE 81 -2.311 9.598 -9.785 659 3HG2 ILE 81 3HG2 ILE 81 -3.955 9.144 -9.332 660 1HD1 ILE 81 1HD1 ILE 81 -2.509 11.676 -9.568 661 2HD1 ILE 81 2HD1 ILE 81 -1.272 11.906 -8.330 662 3HD1 ILE 81 3HD1 ILE 81 -2.654 13.001 -8.413 663 H LEU 82 H LEU 82 -1.379 7.813 -5.588 664 HA LEU 82 HA LEU 82 -1.191 5.360 -6.981 665 1HB LEU 82 2HB LEU 82 0.018 6.178 -4.338 666 2HB LEU 82 1HB LEU 82 0.503 4.784 -5.286 667 HG LEU 82 HG LEU 82 0.698 7.620 -6.294 668 1HD1 LEU 82 1HD1 LEU 82 2.114 7.343 -4.323 669 2HD1 LEU 82 2HD1 LEU 82 3.078 7.485 -5.794 670 3HD1 LEU 82 3HD1 LEU 82 2.840 5.906 -5.045 671 1HD2 LEU 82 1HD2 LEU 82 2.218 6.627 -7.935 672 2HD2 LEU 82 2HD2 LEU 82 0.606 5.917 -8.030 673 3HD2 LEU 82 3HD2 LEU 82 1.915 5.031 -7.247 674 H TRP 83 H TRP 83 -2.468 6.207 -3.781 675 HA TRP 83 HA TRP 83 -3.172 3.562 -3.044 676 1HB TRP 83 2HB TRP 83 -3.003 5.317 -1.367 677 2HB TRP 83 1HB TRP 83 -4.305 6.219 -2.134 678 HD1 TRP 83 HD TRP 83 -6.554 5.929 -0.951 679 HE1 TRP 83 1HE TRP 83 -7.675 4.102 0.473 680 HE3 TRP 83 3HE TRP 83 -2.860 2.393 -1.098 681 HZ2 TRP 83 2HZ TRP 83 -7.076 1.505 1.408 682 HZ3 TRP 83 3HZ TRP 83 -3.217 0.268 0.073 683 HH2 TRP 83 HH TRP 83 -5.282 -0.170 1.303 684 H LYS 84 H LYS 84 -4.834 6.108 -4.826 685 HA LYS 84 HA LYS 84 -7.381 4.940 -4.915 686 1HB LYS 84 2HB LYS 84 -6.732 7.279 -5.664 687 2HB LYS 84 1HB LYS 84 -6.163 6.548 -7.156 688 1HG LYS 84 2HG LYS 84 -8.455 5.596 -7.467 689 2HG LYS 84 1HG LYS 84 -8.972 6.561 -6.085 690 1HD LYS 84 2HD LYS 84 -8.262 8.601 -7.267 691 2HD LYS 84 1HD LYS 84 -7.804 7.617 -8.660 692 1HE LYS 84 2HE LYS 84 -10.161 6.793 -8.750 693 2HE LYS 84 1HE LYS 84 -10.565 7.963 -7.496 694 1HZ LYS 84 1HZ LYS 84 -9.573 8.539 -10.233 695 2HZ LYS 84 2HZ LYS 84 -9.733 9.717 -9.021 696 3HZ LYS 84 3HZ LYS 84 -11.105 8.899 -9.596 697 H SER 85 H SER 85 -4.505 4.447 -6.869 698 HA SER 85 HA SER 85 -5.521 2.825 -8.879 699 1HB SER 85 2HB SER 85 -2.863 2.494 -7.457 700 2HB SER 85 1HB SER 85 -3.265 1.907 -9.070 701 HG SER 85 HG SER 85 -2.072 3.985 -8.860 702 H ALA 86 H ALA 86 -4.276 1.857 -5.687 703 HA ALA 86 HA ALA 86 -4.895 -0.890 -5.969 704 1HB ALA 86 1HB ALA 86 -4.473 -1.048 -3.573 705 2HB ALA 86 2HB ALA 86 -4.527 0.711 -3.438 706 3HB ALA 86 3HB ALA 86 -3.244 -0.064 -4.366 707 H TRP 87 H TRP 87 -6.627 1.860 -4.611 708 HA TRP 87 HA TRP 87 -8.811 0.464 -3.531 709 1HB TRP 87 2HB TRP 87 -8.300 2.850 -3.057 710 2HB TRP 87 1HB TRP 87 -8.782 3.255 -4.695 711 HD1 TRP 87 HD TRP 87 -11.184 3.979 -4.968 712 HE1 TRP 87 1HE TRP 87 -13.354 3.788 -3.596 713 HE3 TRP 87 3HE TRP 87 -9.462 1.029 -1.173 714 HZ2 TRP 87 2HZ TRP 87 -14.211 2.545 -1.204 715 HZ3 TRP 87 3HZ TRP 87 -11.019 0.387 0.621 716 HH2 TRP 87 HH TRP 87 -13.342 1.130 0.604 717 H THR 88 H THR 88 -8.159 1.661 -6.771 718 HA THR 88 HA THR 88 -10.666 1.211 -7.925 719 HB THR 88 HB THR 88 -7.937 0.997 -9.226 720 HG1 THR 88 1HG THR 88 -8.385 3.057 -8.263 721 1HG2 THR 88 1HG2 THR 88 -9.681 -0.042 -10.591 722 2HG2 THR 88 2HG2 THR 88 -9.119 1.461 -11.322 723 3HG2 THR 88 3HG2 THR 88 -10.660 1.420 -10.467 724 H LEU 89 H LEU 89 -7.860 -0.945 -7.568 725 HA LEU 89 HA LEU 89 -8.954 -3.191 -8.861 726 1HB LEU 89 2HB LEU 89 -6.977 -3.075 -6.579 727 2HB LEU 89 1HB LEU 89 -7.322 -4.503 -7.533 728 HG LEU 89 HG LEU 89 -6.007 -1.962 -8.493 729 1HD1 LEU 89 1HD1 LEU 89 -4.583 -3.443 -7.179 730 2HD1 LEU 89 2HD1 LEU 89 -4.091 -3.410 -8.873 731 3HD1 LEU 89 3HD1 LEU 89 -4.994 -4.788 -8.241 732 1HD2 LEU 89 1HD2 LEU 89 -5.784 -3.118 -10.651 733 2HD2 LEU 89 2HD2 LEU 89 -7.469 -2.812 -10.233 734 3HD2 LEU 89 3HD2 LEU 89 -6.796 -4.430 -10.040 735 H HIS 90 H HIS 90 -9.115 -2.063 -5.538 736 HA HIS 90 HA HIS 90 -10.435 -4.237 -4.373 737 1HB HIS 90 2HB HIS 90 -9.429 -2.452 -3.049 738 2HB HIS 90 1HB HIS 90 -10.561 -1.281 -3.709 739 HD1 HIS 90 1HD HIS 90 -9.990 -3.157 -0.762 740 HD2 HIS 90 2HD HIS 90 -13.391 -2.126 -2.932 741 HE1 HIS 90 1HE HIS 90 -11.921 -3.383 0.839 742 HE2 HIS 90 2HE HIS 90 -13.949 -2.628 -0.461 743 H VAL 91 H VAL 91 -11.741 -1.334 -5.957 744 HA VAL 91 HA VAL 91 -14.454 -2.011 -5.361 745 HB VAL 91 HB VAL 91 -13.394 0.011 -7.341 746 1HG1 VAL 91 1HG1 VAL 91 -16.137 -0.298 -6.115 747 2HG1 VAL 91 2HG1 VAL 91 -15.711 -0.598 -7.799 748 3HG1 VAL 91 3HG1 VAL 91 -15.615 1.037 -7.144 749 1HG2 VAL 91 1HG2 VAL 91 -13.798 1.647 -5.577 750 2HG2 VAL 91 2HG2 VAL 91 -12.633 0.430 -5.055 751 3HG2 VAL 91 3HG2 VAL 91 -14.300 0.356 -4.484 752 H GLU 92 H GLU 92 -12.522 -2.094 -8.373 753 HA GLU 92 HA GLU 92 -14.741 -3.096 -9.882 754 1HB GLU 92 2HB GLU 92 -11.825 -2.764 -10.557 755 2HB GLU 92 1HB GLU 92 -12.990 -3.445 -11.685 756 1HG GLU 92 2HG GLU 92 -14.332 -1.328 -11.375 757 2HG GLU 92 1HG GLU 92 -12.925 -0.672 -10.543 758 H GLY 93 H GLY 93 -11.892 -4.588 -8.406 759 1HA GLY 93 2HA GLY 93 -12.635 -7.182 -9.525 760 2HA GLY 93 1HA GLY 93 -11.181 -6.821 -8.606 761 H PHE 94 H PHE 94 -14.540 -6.131 -7.759 762 HA PHE 94 HA PHE 94 -14.117 -7.238 -5.129 763 1HB PHE 94 2HB PHE 94 -16.206 -6.265 -4.549 764 2HB PHE 94 1HB PHE 94 -15.435 -5.123 -5.643 765 HD1 PHE 94 2HD PHE 94 -16.104 -5.329 -8.155 766 HD2 PHE 94 1HD PHE 94 -18.376 -6.925 -4.934 767 HE1 PHE 94 2HE PHE 94 -18.095 -5.395 -9.598 768 HE2 PHE 94 1HE PHE 94 -20.371 -6.997 -6.370 769 HZ PHE 94 HZ PHE 94 -20.233 -6.232 -8.706 770 H HIS 95 H HIS 95 -15.603 -8.237 -8.091 771 HA HIS 95 HA HIS 95 -17.235 -10.242 -6.729 772 1HB HIS 95 2HB HIS 95 -18.284 -8.765 -8.429 773 2HB HIS 95 1HB HIS 95 -17.222 -9.459 -9.648 774 HD1 HIS 95 1HD HIS 95 -18.611 -10.939 -11.066 775 HD2 HIS 95 2HD HIS 95 -19.575 -11.302 -7.032 776 HE1 HIS 95 1HE HIS 95 -20.374 -12.730 -10.939 777 HE2 HIS 95 2HE HIS 95 -21.050 -12.827 -8.512 778 H GLU 96 H GLU 96 -15.215 -10.172 -9.670 779 HA GLU 96 HA GLU 96 -14.533 -12.970 -9.101 780 1HB GLU 96 2HB GLU 96 -13.942 -13.088 -11.537 781 2HB GLU 96 1HB GLU 96 -15.648 -12.825 -11.204 782 1HG GLU 96 2HG GLU 96 -15.328 -10.420 -11.651 783 2HG GLU 96 1HG GLU 96 -13.646 -10.753 -12.072 784 H LEU 97 H LEU 97 -12.539 -13.391 -8.475 785 HA LEU 97 HA LEU 97 -10.541 -11.289 -8.623 786 1HB LEU 97 2HB LEU 97 -10.628 -13.939 -7.199 787 2HB LEU 97 1HB LEU 97 -9.156 -12.996 -7.304 788 HG LEU 97 HG LEU 97 -10.144 -12.581 -5.174 789 1HD1 LEU 97 1HD1 LEU 97 -10.525 -10.159 -5.258 790 2HD1 LEU 97 2HD1 LEU 97 -10.662 -10.253 -7.014 791 3HD1 LEU 97 3HD1 LEU 97 -9.134 -10.649 -6.227 792 1HD2 LEU 97 1HD2 LEU 97 -12.672 -11.785 -6.611 793 2HD2 LEU 97 2HD2 LEU 97 -12.394 -11.730 -4.870 794 3HD2 LEU 97 3HD2 LEU 97 -12.436 -13.282 -5.707 795 H SER 98 H SER 98 -10.289 -11.366 -10.897 796 HA SER 98 HA SER 98 -8.151 -13.164 -11.629 797 1HB SER 98 2HB SER 98 -9.302 -13.690 -13.846 798 2HB SER 98 1HB SER 98 -9.932 -14.520 -12.423 799 HG SER 98 HG SER 98 -11.097 -12.561 -14.017 800 H LEU 99 H LEU 99 -7.057 -11.150 -11.437 801 HA LEU 99 HA LEU 99 -7.685 -9.066 -13.349 802 1HB LEU 99 2HB LEU 99 -5.466 -9.293 -11.312 803 2HB LEU 99 1HB LEU 99 -5.777 -7.881 -12.304 804 HG LEU 99 HG LEU 99 -7.681 -9.021 -10.254 805 1HD1 LEU 99 1HD1 LEU 99 -7.163 -7.043 -8.946 806 2HD1 LEU 99 2HD1 LEU 99 -6.002 -6.519 -10.167 807 3HD1 LEU 99 3HD1 LEU 99 -5.705 -7.990 -9.240 808 1HD2 LEU 99 1HD2 LEU 99 -8.851 -7.949 -12.096 809 2HD2 LEU 99 2HD2 LEU 99 -7.840 -6.515 -11.925 810 3HD2 LEU 99 3HD2 LEU 99 -8.958 -6.966 -10.637 811 H ASN 100 H ASN 100 -5.185 -8.158 -14.119 812 HA ASN 100 HA ASN 100 -4.159 -10.411 -15.691 813 1HB ASN 100 2HB ASN 100 -4.237 -8.984 -17.745 814 2HB ASN 100 1HB ASN 100 -5.813 -9.461 -17.132 815 1HD2 ASN 100 1HD2 ASN 100 -7.194 -7.908 -16.337 816 2HD2 ASN 100 2HD2 ASN 100 -6.904 -6.215 -16.515 817 H GLU 101 H GLU 101 -2.183 -9.943 -16.840 818 HA GLU 101 HA GLU 101 -0.209 -8.922 -15.131 819 1HB GLU 101 2HB GLU 101 0.148 -10.634 -16.897 820 2HB GLU 101 1HB GLU 101 -0.018 -9.377 -18.112 821 1HG GLU 101 2HG GLU 101 1.908 -8.261 -16.669 822 2HG GLU 101 1HG GLU 101 2.222 -9.948 -16.264 823 H LYS 102 H LYS 102 -1.829 -7.549 -17.913 824 HA LYS 102 HA LYS 102 -0.273 -5.340 -18.466 825 1HB LYS 102 2HB LYS 102 -2.224 -6.258 -19.747 826 2HB LYS 102 1HB LYS 102 -3.285 -5.526 -18.561 827 1HG LYS 102 2HG LYS 102 -2.437 -3.332 -19.164 828 2HG LYS 102 1HG LYS 102 -1.394 -4.066 -20.383 829 1HD LYS 102 2HD LYS 102 -3.399 -5.004 -21.481 830 2HD LYS 102 1HD LYS 102 -4.409 -4.173 -20.300 831 1HE LYS 102 2HE LYS 102 -3.577 -2.023 -21.086 832 2HE LYS 102 1HE LYS 102 -2.527 -2.843 -22.245 833 1HZ LYS 102 1HZ LYS 102 -5.498 -2.958 -22.210 834 2HZ LYS 102 2HZ LYS 102 -4.493 -3.758 -23.321 835 3HZ LYS 102 3HZ LYS 102 -4.555 -2.063 -23.299 836 H GLU 103 H GLU 103 -2.877 -5.743 -16.134 837 HA GLU 103 HA GLU 103 -2.681 -3.062 -15.128 838 1HB GLU 103 2HB GLU 103 -4.819 -4.054 -14.985 839 2HB GLU 103 1HB GLU 103 -4.182 -5.531 -14.285 840 1HG GLU 103 2HG GLU 103 -3.881 -3.011 -12.745 841 2HG GLU 103 1HG GLU 103 -5.481 -3.748 -12.847 842 H VAL 104 H VAL 104 -1.762 -6.275 -13.917 843 HA VAL 104 HA VAL 104 -0.796 -5.602 -11.426 844 HB VAL 104 HB VAL 104 0.215 -7.754 -13.296 845 1HG1 VAL 104 1HG1 VAL 104 0.633 -7.477 -10.318 846 2HG1 VAL 104 2HG1 VAL 104 1.872 -7.278 -11.556 847 3HG1 VAL 104 3HG1 VAL 104 1.119 -8.853 -11.309 848 1HG2 VAL 104 1HG2 VAL 104 -1.794 -7.812 -11.046 849 2HG2 VAL 104 2HG2 VAL 104 -1.216 -9.223 -11.930 850 3HG2 VAL 104 3HG2 VAL 104 -2.139 -7.976 -12.768 851 H LYS 105 H LYS 105 0.962 -5.550 -14.509 852 HA LYS 105 HA LYS 105 3.502 -5.043 -13.397 853 1HB LYS 105 2HB LYS 105 2.387 -4.509 -16.147 854 2HB LYS 105 1HB LYS 105 4.063 -4.194 -15.718 855 1HG LYS 105 2HG LYS 105 2.684 -6.870 -15.589 856 2HG LYS 105 1HG LYS 105 3.818 -6.345 -16.836 857 1HD LYS 105 2HD LYS 105 5.586 -6.152 -15.180 858 2HD LYS 105 1HD LYS 105 4.457 -6.582 -13.896 859 1HE LYS 105 2HE LYS 105 5.805 -8.503 -14.493 860 2HE LYS 105 1HE LYS 105 4.124 -8.777 -14.936 861 1HZ LYS 105 1HZ LYS 105 4.608 -8.446 -17.203 862 2HZ LYS 105 2HZ LYS 105 5.844 -9.450 -16.618 863 3HZ LYS 105 3HZ LYS 105 6.142 -7.799 -16.875 864 H LYS 106 H LYS 106 0.884 -2.903 -14.321 865 HA LYS 106 HA LYS 106 2.437 -0.506 -13.992 866 1HB LYS 106 2HB LYS 106 0.163 -1.001 -15.310 867 2HB LYS 106 1HB LYS 106 -0.518 -0.403 -13.801 868 1HG LYS 106 2HG LYS 106 1.603 1.098 -15.297 869 2HG LYS 106 1HG LYS 106 -0.105 1.279 -15.655 870 1HD LYS 106 2HD LYS 106 1.077 1.699 -12.921 871 2HD LYS 106 1HD LYS 106 0.847 2.997 -14.093 872 1HE LYS 106 2HE LYS 106 -1.559 2.513 -14.134 873 2HE LYS 106 1HE LYS 106 -1.317 1.241 -12.938 874 1HZ LYS 106 1HZ LYS 106 -0.675 4.108 -12.507 875 2HZ LYS 106 2HZ LYS 106 -0.573 2.866 -11.353 876 3HZ LYS 106 3HZ LYS 106 -2.088 3.345 -11.963 877 H LEU 107 H LEU 107 -0.121 -2.123 -12.136 878 HA LEU 107 HA LEU 107 -0.253 -0.317 -10.006 879 1HB LEU 107 2HB LEU 107 -1.134 -3.087 -10.516 880 2HB LEU 107 1HB LEU 107 -0.972 -2.646 -8.827 881 HG LEU 107 HG LEU 107 -3.270 -2.339 -9.660 882 1HD1 LEU 107 1HD1 LEU 107 -3.598 -0.094 -8.799 883 2HD1 LEU 107 2HD1 LEU 107 -1.873 0.236 -8.963 884 3HD1 LEU 107 3HD1 LEU 107 -2.434 -0.981 -7.816 885 1HD2 LEU 107 1HD2 LEU 107 -3.750 -0.494 -11.217 886 2HD2 LEU 107 2HD2 LEU 107 -2.804 -1.778 -11.972 887 3HD2 LEU 107 3HD2 LEU 107 -2.019 -0.279 -11.477 888 H LYS 108 H LYS 108 1.934 -3.047 -10.507 889 HA LYS 108 HA LYS 108 2.840 -3.194 -7.840 890 1HB LYS 108 2HB LYS 108 4.561 -4.611 -8.606 891 2HB LYS 108 1HB LYS 108 3.196 -4.920 -9.666 892 1HG LYS 108 2HG LYS 108 4.249 -3.374 -11.328 893 2HG LYS 108 1HG LYS 108 5.670 -3.326 -10.283 894 1HD LYS 108 2HD LYS 108 4.475 -5.765 -11.599 895 2HD LYS 108 1HD LYS 108 5.985 -4.968 -12.040 896 1HE LYS 108 2HE LYS 108 5.438 -6.260 -9.369 897 2HE LYS 108 1HE LYS 108 6.297 -7.035 -10.696 898 1HZ LYS 108 1HZ LYS 108 7.943 -5.214 -10.571 899 2HZ LYS 108 2HZ LYS 108 7.874 -6.148 -9.158 900 3HZ LYS 108 3HZ LYS 108 7.150 -4.613 -9.195 901 H GLU 109 H GLU 109 3.558 -0.959 -10.400 902 HA GLU 109 HA GLU 109 5.921 0.060 -9.083 903 1HB GLU 109 2HB GLU 109 4.334 1.149 -11.411 904 2HB GLU 109 1HB GLU 109 5.819 1.863 -10.801 905 1HG GLU 109 2HG GLU 109 6.901 -0.389 -11.237 906 2HG GLU 109 1HG GLU 109 5.447 -0.787 -12.150 907 H ASP 110 H ASP 110 2.511 0.851 -9.303 908 HA ASP 110 HA ASP 110 2.497 3.266 -7.880 909 1HB ASP 110 2HB ASP 110 0.481 1.014 -8.017 910 2HB ASP 110 1HB ASP 110 0.168 2.505 -7.148 911 H VAL 111 H VAL 111 2.197 -0.073 -6.724 912 HA VAL 111 HA VAL 111 2.217 0.557 -3.962 913 HB VAL 111 HB VAL 111 3.066 -2.022 -5.304 914 1HG1 VAL 111 1HG1 VAL 111 3.809 -1.939 -3.006 915 2HG1 VAL 111 2HG1 VAL 111 2.457 -3.062 -3.150 916 3HG1 VAL 111 3HG1 VAL 111 2.200 -1.453 -2.472 917 1HG2 VAL 111 1HG2 VAL 111 0.815 -1.384 -5.973 918 2HG2 VAL 111 2HG2 VAL 111 0.358 -1.159 -4.284 919 3HG2 VAL 111 3HG2 VAL 111 0.761 -2.769 -4.883 920 H ARG 112 H ARG 112 4.748 -0.171 -6.294 921 HA ARG 112 HA ARG 112 6.937 -0.457 -4.593 922 1HB ARG 112 2HB ARG 112 7.051 -0.968 -6.957 923 2HB ARG 112 1HB ARG 112 6.751 0.708 -7.374 924 1HG ARG 112 2HG ARG 112 8.901 1.362 -6.539 925 2HG ARG 112 1HG ARG 112 9.197 -0.264 -5.916 926 1HD ARG 112 2HD ARG 112 9.239 -1.178 -8.122 927 2HD ARG 112 1HD ARG 112 8.689 0.343 -8.820 928 HE ARG 112 HE ARG 112 10.879 1.276 -8.089 929 1HH1 ARG 112 1HH1 ARG 112 10.505 -2.164 -8.577 930 2HH1 ARG 112 2HH1 ARG 112 12.173 -2.429 -8.975 931 1HH2 ARG 112 1HH2 ARG 112 13.044 0.976 -8.637 932 2HH2 ARG 112 2HH2 ARG 112 13.637 -0.613 -9.028 933 H LYS 113 H LYS 113 5.480 2.451 -5.975 934 HA LYS 113 HA LYS 113 7.194 4.399 -4.984 935 1HB LYS 113 2HB LYS 113 4.279 4.301 -5.634 936 2HB LYS 113 1HB LYS 113 4.929 5.733 -4.860 937 1HG LYS 113 2HG LYS 113 6.283 4.686 -7.291 938 2HG LYS 113 1HG LYS 113 4.755 5.555 -7.466 939 1HD LYS 113 2HD LYS 113 5.722 7.445 -6.204 940 2HD LYS 113 1HD LYS 113 7.255 6.577 -6.115 941 1HE LYS 113 2HE LYS 113 7.533 6.671 -8.480 942 2HE LYS 113 1HE LYS 113 5.892 7.276 -8.706 943 1HZ LYS 113 1HZ LYS 113 7.688 8.985 -8.856 944 2HZ LYS 113 2HZ LYS 113 7.970 8.763 -7.195 945 3HZ LYS 113 3HZ LYS 113 6.464 9.338 -7.735 946 H LEU 114 H LEU 114 4.307 2.992 -3.467 947 HA LEU 114 HA LEU 114 4.393 4.481 -1.100 948 1HB LEU 114 2HB LEU 114 3.015 2.072 -2.104 949 2HB LEU 114 1HB LEU 114 3.114 2.222 -0.368 950 HG LEU 114 HG LEU 114 2.003 4.427 -0.510 951 1HD1 LEU 114 1HD1 LEU 114 0.980 5.138 -2.591 952 2HD1 LEU 114 2HD1 LEU 114 1.696 3.762 -3.430 953 3HD1 LEU 114 3HD1 LEU 114 2.731 5.026 -2.767 954 1HD2 LEU 114 1HD2 LEU 114 0.499 2.193 -1.864 955 2HD2 LEU 114 2HD2 LEU 114 -0.215 3.590 -1.057 956 3HD2 LEU 114 3HD2 LEU 114 0.692 2.400 -0.123 957 H VAL 115 H VAL 115 5.704 1.283 -1.902 958 HA VAL 115 HA VAL 115 6.465 0.598 0.713 959 HB VAL 115 HB VAL 115 7.634 -0.346 -1.909 960 1HG1 VAL 115 1HG1 VAL 115 8.478 -2.266 -0.650 961 2HG1 VAL 115 2HG1 VAL 115 7.912 -1.533 0.851 962 3HG1 VAL 115 3HG1 VAL 115 9.191 -0.756 -0.083 963 1HG2 VAL 115 1HG2 VAL 115 6.196 -2.292 -1.595 964 2HG2 VAL 115 2HG2 VAL 115 5.246 -0.807 -1.661 965 3HG2 VAL 115 3HG2 VAL 115 5.555 -1.589 -0.111 966 H ILE 116 H ILE 116 8.421 1.965 -1.937 967 HA ILE 116 HA ILE 116 10.816 2.166 -0.495 968 HB ILE 116 HB ILE 116 9.820 3.934 -2.741 969 1HG1 ILE 116 2HG1 ILE 116 11.645 1.518 -2.782 970 2HG1 ILE 116 1HG1 ILE 116 9.965 1.531 -3.303 971 1HG2 ILE 116 1HG2 ILE 116 11.616 5.036 -1.522 972 2HG2 ILE 116 2HG2 ILE 116 12.187 4.496 -3.102 973 3HG2 ILE 116 3HG2 ILE 116 12.613 3.587 -1.654 974 1HD1 ILE 116 1HD1 ILE 116 10.523 3.110 -5.077 975 2HD1 ILE 116 2HD1 ILE 116 11.472 1.626 -5.200 976 3HD1 ILE 116 3HD1 ILE 116 12.207 3.092 -4.554 977 H PHE 117 H PHE 117 7.964 4.174 -0.537 978 HA PHE 117 HA PHE 117 9.239 6.467 0.624 979 1HB PHE 117 2HB PHE 117 7.143 6.494 -0.819 980 2HB PHE 117 1HB PHE 117 6.275 5.890 0.589 981 HD1 PHE 117 1HD PHE 117 8.142 8.740 -0.790 982 HD2 PHE 117 2HD PHE 117 5.730 7.329 2.419 983 HE1 PHE 117 1HE PHE 117 7.872 11.048 0.019 984 HE2 PHE 117 2HE PHE 117 5.455 9.634 3.230 985 HZ PHE 117 HZ PHE 117 6.527 11.497 2.030 986 H ALA 118 H ALA 118 7.159 3.861 1.814 987 HA ALA 118 HA ALA 118 6.960 4.780 4.478 988 1HB ALA 118 1HB ALA 118 5.451 3.102 3.540 989 2HB ALA 118 2HB ALA 118 6.230 2.509 5.008 990 3HB ALA 118 3HB ALA 118 6.786 1.954 3.430 991 H VAL 119 H VAL 119 9.203 2.460 2.964 992 HA VAL 119 HA VAL 119 10.652 1.865 5.316 993 HB VAL 119 HB VAL 119 11.671 1.834 2.464 994 1HG1 VAL 119 1HG1 VAL 119 12.637 0.387 4.928 995 2HG1 VAL 119 2HG1 VAL 119 13.465 1.703 4.094 996 3HG1 VAL 119 3HG1 VAL 119 13.248 0.148 3.291 997 1HG2 VAL 119 1HG2 VAL 119 11.054 -0.541 2.469 998 2HG2 VAL 119 2HG2 VAL 119 9.646 0.501 2.674 999 3HG2 VAL 119 3HG2 VAL 119 10.326 -0.347 4.064 1000 H ASN 120 H ASN 120 11.090 4.294 2.796 1001 HA ASN 120 HA ASN 120 13.436 5.504 3.741 1002 1HB ASN 120 2HB ASN 120 12.174 5.879 1.533 1003 2HB ASN 120 1HB ASN 120 11.160 6.995 2.438 1004 1HD2 ASN 120 1HD2 ASN 120 14.242 6.430 1.025 1005 2HD2 ASN 120 2HD2 ASN 120 14.869 8.026 1.228 1006 H SER 121 H SER 121 10.072 5.881 4.632 1007 HA SER 121 HA SER 121 10.254 8.201 6.176 1008 1HB SER 121 2HB SER 121 8.343 5.865 6.265 1009 2HB SER 121 1HB SER 121 8.116 7.336 7.195 1010 HG SER 121 HG SER 121 8.274 7.121 4.369 1011 H LEU 122 H LEU 122 10.583 4.778 7.083 1012 HA LEU 122 HA LEU 122 10.931 5.359 9.866 1013 1HB LEU 122 2HB LEU 122 11.195 2.901 8.181 1014 2HB LEU 122 1HB LEU 122 11.850 2.903 9.807 1015 HG LEU 122 HG LEU 122 9.600 3.447 10.692 1016 1HD1 LEU 122 1HD1 LEU 122 8.685 4.563 8.719 1017 2HD1 LEU 122 2HD1 LEU 122 7.646 3.243 9.258 1018 3HD1 LEU 122 3HD1 LEU 122 8.688 3.028 7.851 1019 1HD2 LEU 122 1HD2 LEU 122 10.341 1.144 10.615 1020 2HD2 LEU 122 2HD2 LEU 122 9.752 0.987 8.960 1021 3HD2 LEU 122 3HD2 LEU 122 8.613 1.240 10.282 1022 H GLU 123 H GLU 123 12.980 5.341 7.134 1023 HA GLU 123 HA GLU 123 15.452 4.935 8.486 1024 1HB GLU 123 2HB GLU 123 14.694 5.996 5.803 1025 2HB GLU 123 1HB GLU 123 16.360 6.070 6.366 1026 1HG GLU 123 2HG GLU 123 14.719 3.557 6.208 1027 2HG GLU 123 1HG GLU 123 15.865 4.097 4.995 1028 H HIS 124 H HIS 124 13.280 7.445 8.600 1029 HA HIS 124 HA HIS 124 15.216 9.590 8.856 1030 1HB HIS 124 2HB HIS 124 12.232 9.549 9.367 1031 2HB HIS 124 1HB HIS 124 13.244 10.985 9.441 1032 HD1 HIS 124 1HD HIS 124 10.960 9.463 7.261 1033 HD2 HIS 124 2HD HIS 124 14.699 11.185 6.713 1034 HE1 HIS 124 1HE HIS 124 11.068 10.084 4.824 1035 HE2 HIS 124 2HE HIS 124 13.254 11.310 4.569 1036 H HIS 125 H HIS 125 16.075 10.321 10.711 1037 HA HIS 125 HA HIS 125 15.954 8.620 12.978 1038 1HB HIS 125 2HB HIS 125 17.530 10.182 14.035 1039 2HB HIS 125 1HB HIS 125 18.033 9.747 12.409 1040 HD1 HIS 125 1HD HIS 125 16.876 12.645 14.476 1041 HD2 HIS 125 2HD HIS 125 18.083 11.853 10.571 1042 HE1 HIS 125 1HE HIS 125 17.254 14.892 13.410 1043 HE2 HIS 125 2HE HIS 125 18.170 14.376 11.121 1044 H HIS 126 H HIS 126 14.112 11.372 12.085 1045 HA HIS 126 HA HIS 126 12.615 11.108 14.556 1046 1HB HIS 126 2HB HIS 126 14.375 12.870 14.989 1047 2HB HIS 126 1HB HIS 126 13.623 13.835 13.725 1048 HD1 HIS 126 1HD HIS 126 13.195 12.731 17.256 1049 HD2 HIS 126 2HD HIS 126 11.173 15.023 14.434 1050 HE1 HIS 126 1HE HIS 126 11.460 14.012 18.543 1051 HE2 HIS 126 2HE HIS 126 10.429 15.570 16.853 1052 H HIS 127 H HIS 127 12.750 13.663 12.105 1053 HA HIS 127 HA HIS 127 10.538 12.632 10.610 1054 1HB HIS 127 2HB HIS 127 9.424 13.634 12.657 1055 2HB HIS 127 1HB HIS 127 10.062 15.196 12.159 1056 HD1 HIS 127 1HD HIS 127 7.498 15.935 12.049 1057 HD2 HIS 127 2HD HIS 127 8.679 13.095 9.245 1058 HE1 HIS 127 1HE HIS 127 5.685 15.901 10.304 1059 HE2 HIS 127 2HE HIS 127 6.553 14.366 8.502 1060 H HIS 128 H HIS 128 10.983 13.225 8.580 1061 HA HIS 128 HA HIS 128 12.044 15.837 7.957 1062 1HB HIS 128 2HB HIS 128 14.071 14.596 8.632 1063 2HB HIS 128 1HB HIS 128 13.699 13.347 7.451 1064 HD1 HIS 128 1HD HIS 128 14.006 14.008 4.907 1065 HD2 HIS 128 2HD HIS 128 15.399 16.809 7.649 1066 HE1 HIS 128 1HE HIS 128 15.516 15.532 3.608 1067 HE2 HIS 128 2HE HIS 128 16.552 17.029 5.342 1068 H HIS 129 H HIS 129 11.136 16.446 6.110 1069 HA HIS 129 HA HIS 129 10.330 14.403 4.163 1070 1HB HIS 129 2HB HIS 129 8.537 15.946 4.737 1071 2HB HIS 129 1HB HIS 129 9.569 17.331 4.401 1072 HD1 HIS 129 1HD HIS 129 7.421 14.772 2.729 1073 HD2 HIS 129 2HD HIS 129 9.918 17.921 1.664 1074 HE1 HIS 129 1HE HIS 129 6.968 15.206 0.298 1075 HE2 HIS 129 2HE HIS 129 8.644 16.967 -0.375 Start of MODEL 16 1 1H MET 1 1HT MET 1 10.864 -3.373 13.811 2 2H MET 1 2HT MET 1 10.965 -3.921 12.211 3 3H MET 1 3HT MET 1 10.046 -2.545 12.576 4 HA MET 1 HA MET 1 12.134 -1.947 11.553 5 1HB MET 1 2HB MET 1 11.096 -0.451 13.246 6 2HB MET 1 1HB MET 1 12.050 -1.236 14.496 7 1HG MET 1 2HG MET 1 14.091 -0.425 13.514 8 2HG MET 1 1HG MET 1 13.203 0.251 12.148 9 1HE MET 1 1HE MET 1 14.419 2.580 12.544 10 2HE MET 1 2HE MET 1 15.287 1.911 13.927 11 3HE MET 1 3HE MET 1 14.415 3.435 14.086 12 H SER 2 H SER 2 13.220 -3.922 11.156 13 HA SER 2 HA SER 2 15.736 -4.110 12.535 14 1HB SER 2 2HB SER 2 13.921 -6.548 12.473 15 2HB SER 2 1HB SER 2 15.569 -6.490 13.095 16 HG SER 2 HG SER 2 14.269 -4.607 14.368 17 H ILE 3 H ILE 3 14.752 -3.376 9.961 18 HA ILE 3 HA ILE 3 15.031 -3.693 7.743 19 HB ILE 3 HB ILE 3 16.741 -6.099 8.390 20 1HG1 ILE 3 2HG1 ILE 3 17.713 -3.318 7.803 21 2HG1 ILE 3 1HG1 ILE 3 17.377 -3.865 9.432 22 1HG2 ILE 3 1HG2 ILE 3 16.557 -4.377 5.926 23 2HG2 ILE 3 2HG2 ILE 3 16.119 -6.080 6.066 24 3HG2 ILE 3 3HG2 ILE 3 17.807 -5.589 6.206 25 1HD1 ILE 3 1HD1 ILE 3 19.050 -5.620 9.205 26 2HD1 ILE 3 2HD1 ILE 3 19.748 -4.030 8.895 27 3HD1 ILE 3 3HD1 ILE 3 19.363 -5.101 7.549 28 H SER 4 H SER 4 14.490 -5.164 6.022 29 HA SER 4 HA SER 4 12.836 -6.309 4.970 30 1HB SER 4 2HB SER 4 14.260 -8.182 5.933 31 2HB SER 4 1HB SER 4 13.068 -8.312 7.227 32 HG SER 4 HG SER 4 12.479 -8.517 4.448 33 H THR 5 H THR 5 11.442 -4.526 5.580 34 HA THR 5 HA THR 5 9.677 -4.806 7.825 35 HB THR 5 HB THR 5 8.473 -2.868 6.774 36 HG1 THR 5 1HG THR 5 10.627 -2.955 4.887 37 1HG2 THR 5 1HG2 THR 5 10.284 -1.253 7.134 38 2HG2 THR 5 2HG2 THR 5 11.463 -2.562 7.087 39 3HG2 THR 5 3HG2 THR 5 10.272 -2.495 8.387 40 H SER 6 H SER 6 7.262 -4.802 7.519 41 HA SER 6 HA SER 6 6.412 -7.089 6.158 42 1HB SER 6 2HB SER 6 4.084 -6.095 6.591 43 2HB SER 6 1HB SER 6 5.107 -6.370 8.000 44 HG SER 6 HG SER 6 3.940 -4.197 7.576 45 H ALA 7 H ALA 7 6.367 -3.689 5.240 46 HA ALA 7 HA ALA 7 4.830 -3.830 2.920 47 1HB ALA 7 1HB ALA 7 5.959 -1.781 2.225 48 2HB ALA 7 2HB ALA 7 7.210 -2.044 3.441 49 3HB ALA 7 3HB ALA 7 5.549 -1.724 3.938 50 H GLU 8 H GLU 8 8.302 -4.362 3.388 51 HA GLU 8 HA GLU 8 8.952 -4.881 0.691 52 1HB GLU 8 2HB GLU 8 10.220 -5.879 3.245 53 2HB GLU 8 1HB GLU 8 10.919 -6.088 1.646 54 1HG GLU 8 2HG GLU 8 11.248 -3.755 1.395 55 2HG GLU 8 1HG GLU 8 10.296 -3.406 2.839 56 H VAL 9 H VAL 9 8.123 -7.023 3.381 57 HA VAL 9 HA VAL 9 8.468 -9.452 2.059 58 HB VAL 9 HB VAL 9 6.540 -8.818 4.305 59 1HG1 VAL 9 1HG1 VAL 9 7.637 -11.485 3.401 60 2HG1 VAL 9 2HG1 VAL 9 5.978 -10.926 3.179 61 3HG1 VAL 9 3HG1 VAL 9 6.605 -11.207 4.803 62 1HG2 VAL 9 1HG2 VAL 9 8.850 -8.271 4.856 63 2HG2 VAL 9 2HG2 VAL 9 9.362 -9.885 4.365 64 3HG2 VAL 9 3HG2 VAL 9 8.306 -9.683 5.764 65 H TYR 10 H TYR 10 5.419 -7.638 2.569 66 HA TYR 10 HA TYR 10 3.814 -9.416 1.100 67 1HB TYR 10 2HB TYR 10 3.456 -6.485 1.723 68 2HB TYR 10 1HB TYR 10 2.237 -7.439 0.889 69 HD1 TYR 10 1HD TYR 10 1.644 -9.727 2.177 70 HD2 TYR 10 2HD TYR 10 3.205 -6.213 3.994 71 HE1 TYR 10 1HE TYR 10 0.719 -10.437 4.339 72 HE2 TYR 10 2HE TYR 10 2.282 -6.917 6.160 73 HH TYR 10 HH TYR 10 0.522 -8.354 7.029 74 H TYR 11 H TYR 11 5.708 -6.615 0.068 75 HA TYR 11 HA TYR 11 4.635 -6.532 -2.560 76 1HB TYR 11 2HB TYR 11 5.830 -4.634 -1.473 77 2HB TYR 11 1HB TYR 11 7.333 -5.539 -1.622 78 HD1 TYR 11 2HD TYR 11 4.493 -4.416 -3.794 79 HD2 TYR 11 1HD TYR 11 8.687 -5.039 -3.422 80 HE1 TYR 11 2HE TYR 11 4.824 -3.485 -6.047 81 HE2 TYR 11 1HE TYR 11 9.029 -4.113 -5.676 82 HH TYR 11 HH TYR 11 6.481 -2.528 -7.425 83 H GLU 12 H GLU 12 7.398 -8.191 -1.109 84 HA GLU 12 HA GLU 12 8.348 -9.176 -3.629 85 1HB GLU 12 2HB GLU 12 9.725 -8.825 -1.500 86 2HB GLU 12 1HB GLU 12 9.026 -10.337 -0.936 87 1HG GLU 12 2HG GLU 12 9.979 -11.537 -2.781 88 2HG GLU 12 1HG GLU 12 10.555 -10.040 -3.507 89 H GLU 13 H GLU 13 6.178 -10.367 -1.126 90 HA GLU 13 HA GLU 13 5.924 -13.004 -2.101 91 1HB GLU 13 2HB GLU 13 3.928 -11.256 -0.647 92 2HB GLU 13 1HB GLU 13 3.658 -12.956 -1.006 93 1HG GLU 13 2HG GLU 13 5.749 -13.459 0.290 94 2HG GLU 13 1HG GLU 13 5.761 -11.767 0.788 95 H ALA 14 H ALA 14 4.536 -9.958 -3.135 96 HA ALA 14 HA ALA 14 2.694 -10.970 -5.016 97 1HB ALA 14 1HB ALA 14 2.834 -8.786 -6.078 98 2HB ALA 14 2HB ALA 14 4.295 -8.415 -5.163 99 3HB ALA 14 3HB ALA 14 2.755 -8.611 -4.325 100 H GLU 15 H GLU 15 6.103 -10.043 -5.298 101 HA GLU 15 HA GLU 15 6.554 -10.783 -7.948 102 1HB GLU 15 2HB GLU 15 8.353 -10.802 -5.524 103 2HB GLU 15 1HB GLU 15 8.937 -11.202 -7.131 104 1HG GLU 15 2HG GLU 15 7.577 -8.604 -6.495 105 2HG GLU 15 1HG GLU 15 9.320 -8.840 -6.364 106 H GLU 16 H GLU 16 6.586 -12.696 -4.985 107 HA GLU 16 HA GLU 16 7.550 -15.079 -6.038 108 1HB GLU 16 2HB GLU 16 5.848 -14.397 -3.684 109 2HB GLU 16 1HB GLU 16 6.306 -16.046 -4.028 110 1HG GLU 16 2HG GLU 16 8.163 -13.751 -3.485 111 2HG GLU 16 1HG GLU 16 7.806 -15.097 -2.402 112 H PHE 17 H PHE 17 4.206 -13.991 -5.583 113 HA PHE 17 HA PHE 17 3.063 -16.321 -6.735 114 1HB PHE 17 2HB PHE 17 1.979 -13.570 -6.195 115 2HB PHE 17 1HB PHE 17 1.020 -14.782 -7.040 116 HD1 PHE 17 1HD PHE 17 0.807 -17.086 -5.857 117 HD2 PHE 17 2HD PHE 17 1.914 -13.482 -3.885 118 HE1 PHE 17 1HE PHE 17 0.117 -18.054 -3.706 119 HE2 PHE 17 2HE PHE 17 1.224 -14.447 -1.729 120 HZ PHE 17 HZ PHE 17 0.320 -16.737 -1.639 121 H LEU 18 H LEU 18 3.993 -13.188 -8.067 122 HA LEU 18 HA LEU 18 3.054 -13.562 -10.681 123 1HB LEU 18 2HB LEU 18 3.898 -11.420 -9.794 124 2HB LEU 18 1HB LEU 18 5.521 -12.079 -9.759 125 HG LEU 18 HG LEU 18 5.431 -12.320 -12.231 126 1HD1 LEU 18 1HD1 LEU 18 3.012 -12.469 -12.491 127 2HD1 LEU 18 2HD1 LEU 18 3.680 -11.162 -13.468 128 3HD1 LEU 18 3HD1 LEU 18 2.846 -10.796 -11.959 129 1HD2 LEU 18 1HD2 LEU 18 4.925 -9.542 -11.173 130 2HD2 LEU 18 2HD2 LEU 18 5.688 -9.938 -12.711 131 3HD2 LEU 18 3HD2 LEU 18 6.478 -10.376 -11.197 132 H SER 19 H SER 19 5.931 -14.703 -9.052 133 HA SER 19 HA SER 19 7.226 -15.710 -11.391 134 1HB SER 19 2HB SER 19 7.667 -16.431 -8.482 135 2HB SER 19 1HB SER 19 8.770 -16.771 -9.816 136 HG SER 19 HG SER 19 7.952 -14.181 -8.959 137 H LYS 20 H LYS 20 4.881 -16.931 -9.130 138 HA LYS 20 HA LYS 20 5.149 -19.684 -9.924 139 1HB LYS 20 2HB LYS 20 4.354 -19.044 -7.676 140 2HB LYS 20 1HB LYS 20 2.947 -18.279 -8.395 141 1HG LYS 20 2HG LYS 20 2.300 -20.510 -9.318 142 2HG LYS 20 1HG LYS 20 3.616 -21.213 -8.375 143 1HD LYS 20 2HD LYS 20 2.591 -20.281 -6.326 144 2HD LYS 20 1HD LYS 20 1.243 -19.688 -7.299 145 1HE LYS 20 2HE LYS 20 2.070 -22.568 -6.956 146 2HE LYS 20 1HE LYS 20 0.675 -21.793 -6.213 147 1HZ LYS 20 1HZ LYS 20 -0.258 -21.434 -8.419 148 2HZ LYS 20 2HZ LYS 20 0.046 -23.082 -8.150 149 3HZ LYS 20 3HZ LYS 20 1.089 -22.182 -9.131 150 H GLY 21 H GLY 21 3.140 -16.939 -10.756 151 1HA GLY 21 2HA GLY 21 2.193 -16.872 -13.009 152 2HA GLY 21 1HA GLY 21 1.834 -18.586 -12.835 153 H ASP 22 H ASP 22 1.375 -16.501 -10.131 154 HA ASP 22 HA ASP 22 -1.537 -16.682 -10.483 155 1HB ASP 22 2HB ASP 22 -0.816 -17.778 -8.448 156 2HB ASP 22 1HB ASP 22 0.144 -16.376 -7.982 157 H LEU 23 H LEU 23 -2.725 -14.855 -10.530 158 HA LEU 23 HA LEU 23 -1.282 -12.308 -10.280 159 1HB LEU 23 2HB LEU 23 -3.710 -13.002 -11.928 160 2HB LEU 23 1HB LEU 23 -3.070 -11.384 -11.755 161 HG LEU 23 HG LEU 23 -1.615 -13.713 -13.009 162 1HD1 LEU 23 1HD1 LEU 23 -1.935 -12.504 -15.101 163 2HD1 LEU 23 2HD1 LEU 23 -2.863 -11.266 -14.255 164 3HD1 LEU 23 3HD1 LEU 23 -3.485 -12.913 -14.365 165 1HD2 LEU 23 1HD2 LEU 23 -0.086 -12.150 -11.930 166 2HD2 LEU 23 2HD2 LEU 23 -0.848 -10.803 -12.775 167 3HD2 LEU 23 3HD2 LEU 23 0.031 -12.032 -13.684 168 H VAL 24 H VAL 24 -3.871 -14.212 -9.072 169 HA VAL 24 HA VAL 24 -5.526 -12.039 -8.221 170 HB VAL 24 HB VAL 24 -5.623 -14.890 -7.238 171 1HG1 VAL 24 1HG1 VAL 24 -7.754 -12.759 -7.378 172 2HG1 VAL 24 2HG1 VAL 24 -6.922 -13.286 -5.915 173 3HG1 VAL 24 3HG1 VAL 24 -7.969 -14.407 -6.786 174 1HG2 VAL 24 1HG2 VAL 24 -5.705 -14.896 -9.663 175 2HG2 VAL 24 2HG2 VAL 24 -6.967 -13.662 -9.642 176 3HG2 VAL 24 3HG2 VAL 24 -7.296 -15.270 -8.999 177 H GLN 25 H GLN 25 -3.572 -14.434 -6.414 178 HA GLN 25 HA GLN 25 -3.827 -12.963 -3.971 179 1HB GLN 25 2HB GLN 25 -1.909 -15.186 -4.682 180 2HB GLN 25 1HB GLN 25 -2.180 -14.550 -3.064 181 1HG GLN 25 2HG GLN 25 -4.640 -15.201 -3.458 182 2HG GLN 25 1HG GLN 25 -4.009 -16.189 -4.774 183 1HE2 GLN 25 1HE2 GLN 25 -4.202 -15.743 -1.361 184 2HE2 GLN 25 2HE2 GLN 25 -3.559 -17.284 -0.901 185 H ALA 26 H ALA 26 -1.577 -13.078 -6.616 186 HA ALA 26 HA ALA 26 0.603 -11.712 -5.541 187 1HB ALA 26 1HB ALA 26 0.638 -12.720 -7.759 188 2HB ALA 26 2HB ALA 26 1.107 -11.021 -7.836 189 3HB ALA 26 3HB ALA 26 -0.511 -11.515 -8.338 190 H CYS 27 H CYS 27 -2.267 -10.368 -7.186 191 HA CYS 27 HA CYS 27 -1.584 -7.672 -6.855 192 1HB CYS 27 2HB CYS 27 -4.315 -8.946 -7.081 193 2HB CYS 27 1HB CYS 27 -4.013 -7.215 -7.186 194 HG CYS 27 HG CYS 27 -3.185 -9.651 -9.414 195 H GLU 28 H GLU 28 -3.370 -9.891 -4.759 196 HA GLU 28 HA GLU 28 -4.185 -8.049 -2.812 197 1HB GLU 28 2HB GLU 28 -5.078 -10.281 -2.767 198 2HB GLU 28 1HB GLU 28 -3.472 -10.976 -2.568 199 1HG GLU 28 2HG GLU 28 -3.333 -9.738 -0.384 200 2HG GLU 28 1HG GLU 28 -5.043 -9.360 -0.581 201 H LYS 29 H LYS 29 -1.134 -9.735 -3.268 202 HA LYS 29 HA LYS 29 -0.050 -9.293 -0.727 203 1HB LYS 29 2HB LYS 29 1.318 -9.681 -3.384 204 2HB LYS 29 1HB LYS 29 2.167 -9.632 -1.849 205 1HG LYS 29 2HG LYS 29 0.073 -11.644 -2.644 206 2HG LYS 29 1HG LYS 29 1.814 -11.915 -2.604 207 1HD LYS 29 2HD LYS 29 1.284 -12.780 -0.567 208 2HD LYS 29 1HD LYS 29 1.484 -11.095 -0.090 209 1HE LYS 29 2HE LYS 29 -0.545 -11.958 0.881 210 2HE LYS 29 1HE LYS 29 -0.956 -10.770 -0.357 211 1HZ LYS 29 1HZ LYS 29 -1.321 -12.651 -1.898 212 2HZ LYS 29 2HZ LYS 29 -2.392 -12.654 -0.586 213 3HZ LYS 29 3HZ LYS 29 -1.075 -13.730 -0.612 214 H TYR 30 H TYR 30 0.598 -7.424 -3.734 215 HA TYR 30 HA TYR 30 2.020 -5.474 -2.183 216 1HB TYR 30 2HB TYR 30 2.245 -4.199 -4.274 217 2HB TYR 30 1HB TYR 30 2.771 -5.864 -4.441 218 HD1 TYR 30 2HD TYR 30 -0.098 -3.598 -5.149 219 HD2 TYR 30 1HD TYR 30 1.949 -7.177 -6.184 220 HE1 TYR 30 2HE TYR 30 -1.498 -3.811 -7.156 221 HE2 TYR 30 1HE TYR 30 0.557 -7.395 -8.199 222 HH TYR 30 HH TYR 30 -1.413 -4.875 -9.347 223 H TYR 31 H TYR 31 -1.256 -5.925 -3.080 224 HA TYR 31 HA TYR 31 -2.199 -3.288 -2.736 225 1HB TYR 31 2HB TYR 31 -3.558 -5.163 -3.649 226 2HB TYR 31 1HB TYR 31 -3.588 -5.895 -2.052 227 HD1 TYR 31 1HD TYR 31 -4.899 -4.838 -0.233 228 HD2 TYR 31 2HD TYR 31 -4.998 -3.342 -4.212 229 HE1 TYR 31 1HE TYR 31 -6.956 -3.598 0.289 230 HE2 TYR 31 2HE TYR 31 -7.049 -2.089 -3.696 231 HH TYR 31 HH TYR 31 -8.160 -1.554 -0.590 232 H LYS 32 H LYS 32 -1.940 -6.007 -0.470 233 HA LYS 32 HA LYS 32 -2.568 -4.432 1.813 234 1HB LYS 32 2HB LYS 32 -1.457 -7.214 1.482 235 2HB LYS 32 1HB LYS 32 -1.706 -6.480 3.066 236 1HG LYS 32 2HG LYS 32 -4.067 -6.206 2.607 237 2HG LYS 32 1HG LYS 32 -3.849 -6.837 0.976 238 1HD LYS 32 2HD LYS 32 -3.289 -9.012 1.834 239 2HD LYS 32 1HD LYS 32 -3.268 -8.400 3.490 240 1HE LYS 32 2HE LYS 32 -5.636 -7.965 3.417 241 2HE LYS 32 1HE LYS 32 -5.702 -8.380 1.707 242 1HZ LYS 32 1HZ LYS 32 -6.479 -10.124 3.333 243 2HZ LYS 32 2HZ LYS 32 -4.852 -10.332 3.771 244 3HZ LYS 32 3HZ LYS 32 -5.351 -10.637 2.176 245 H ALA 33 H ALA 33 0.414 -5.240 0.164 246 HA ALA 33 HA ALA 33 2.236 -4.310 2.088 247 1HB ALA 33 1HB ALA 33 2.939 -5.453 0.032 248 2HB ALA 33 2HB ALA 33 3.758 -3.903 0.222 249 3HB ALA 33 3HB ALA 33 2.421 -4.060 -0.917 250 H ALA 34 H ALA 34 0.399 -2.601 -0.409 251 HA ALA 34 HA ALA 34 1.327 0.000 0.231 252 1HB ALA 34 1HB ALA 34 0.249 -0.508 -1.900 253 2HB ALA 34 2HB ALA 34 -0.595 0.791 -1.058 254 3HB ALA 34 3HB ALA 34 -1.268 -0.840 -1.061 255 H GLU 35 H GLU 35 -1.419 -1.941 1.306 256 HA GLU 35 HA GLU 35 -2.706 -0.155 2.969 257 1HB GLU 35 2HB GLU 35 -3.649 -2.307 2.504 258 2HB GLU 35 1HB GLU 35 -2.251 -3.136 3.176 259 1HG GLU 35 2HG GLU 35 -2.854 -2.254 5.397 260 2HG GLU 35 1HG GLU 35 -4.294 -1.544 4.676 261 H GLU 36 H GLU 36 -0.009 -2.343 3.702 262 HA GLU 36 HA GLU 36 0.496 -1.545 6.330 263 1HB GLU 36 2HB GLU 36 2.358 -2.554 4.173 264 2HB GLU 36 1HB GLU 36 2.863 -2.307 5.838 265 1HG GLU 36 2HG GLU 36 0.631 -4.145 5.011 266 2HG GLU 36 1HG GLU 36 2.303 -4.656 5.252 267 H ALA 37 H ALA 37 1.751 -0.296 3.279 268 HA ALA 37 HA ALA 37 3.647 1.457 4.381 269 1HB ALA 37 1HB ALA 37 2.245 1.668 1.723 270 2HB ALA 37 2HB ALA 37 3.663 0.673 2.054 271 3HB ALA 37 3HB ALA 37 3.772 2.428 2.171 272 H ILE 38 H ILE 38 0.259 2.009 3.434 273 HA ILE 38 HA ILE 38 0.258 4.786 3.553 274 HB ILE 38 HB ILE 38 -1.989 2.877 4.217 275 1HG1 ILE 38 2HG1 ILE 38 -1.154 2.698 1.925 276 2HG1 ILE 38 1HG1 ILE 38 -2.760 3.415 1.944 277 1HG2 ILE 38 1HG2 ILE 38 -2.140 5.847 3.687 278 2HG2 ILE 38 2HG2 ILE 38 -2.417 5.056 5.237 279 3HG2 ILE 38 3HG2 ILE 38 -3.514 4.759 3.891 280 1HD1 ILE 38 1HD1 ILE 38 -0.179 4.933 1.650 281 2HD1 ILE 38 2HD1 ILE 38 -1.803 5.620 1.615 282 3HD1 ILE 38 3HD1 ILE 38 -1.285 4.511 0.345 283 H LYS 39 H LYS 39 -0.465 2.501 6.205 284 HA LYS 39 HA LYS 39 -0.893 4.596 8.088 285 1HB LYS 39 2HB LYS 39 -0.555 2.669 9.780 286 2HB LYS 39 1HB LYS 39 -1.959 2.658 8.728 287 1HG LYS 39 2HG LYS 39 -0.754 1.086 7.234 288 2HG LYS 39 1HG LYS 39 0.550 1.027 8.427 289 1HD LYS 39 2HD LYS 39 -0.918 0.124 10.085 290 2HD LYS 39 1HD LYS 39 -2.324 0.378 9.052 291 1HE LYS 39 2HE LYS 39 -1.697 -1.958 9.055 292 2HE LYS 39 1HE LYS 39 -1.425 -1.258 7.459 293 1HZ LYS 39 1HZ LYS 39 0.689 -1.646 9.512 294 2HZ LYS 39 2HZ LYS 39 0.906 -1.114 7.919 295 3HZ LYS 39 3HZ LYS 39 0.392 -2.702 8.216 296 H LEU 40 H LEU 40 1.938 2.815 7.062 297 HA LEU 40 HA LEU 40 3.677 3.547 9.132 298 1HB LEU 40 2HB LEU 40 4.232 3.039 6.210 299 2HB LEU 40 1HB LEU 40 5.459 3.171 7.440 300 HG LEU 40 HG LEU 40 3.344 1.049 7.291 301 1HD1 LEU 40 1HD1 LEU 40 5.071 0.792 5.605 302 2HD1 LEU 40 2HD1 LEU 40 5.210 -0.457 6.842 303 3HD1 LEU 40 3HD1 LEU 40 6.317 0.916 6.848 304 1HD2 LEU 40 1HD2 LEU 40 3.855 1.550 9.604 305 2HD2 LEU 40 2HD2 LEU 40 5.583 1.419 9.272 306 3HD2 LEU 40 3HD2 LEU 40 4.550 -0.006 9.151 307 H LEU 41 H LEU 41 2.768 5.188 6.125 308 HA LEU 41 HA LEU 41 4.563 7.381 6.479 309 1HB LEU 41 2HB LEU 41 2.279 6.782 4.660 310 2HB LEU 41 1HB LEU 41 2.816 8.444 4.800 311 HG LEU 41 HG LEU 41 5.082 7.764 4.092 312 1HD1 LEU 41 1HD1 LEU 41 5.074 5.464 4.872 313 2HD1 LEU 41 2HD1 LEU 41 5.445 5.538 3.150 314 3HD1 LEU 41 3HD1 LEU 41 3.836 5.051 3.687 315 1HD2 LEU 41 1HD2 LEU 41 3.515 8.575 2.441 316 2HD2 LEU 41 2HD2 LEU 41 2.848 6.956 2.241 317 3HD2 LEU 41 3HD2 LEU 41 4.507 7.291 1.747 318 H VAL 42 H VAL 42 1.333 6.686 7.568 319 HA VAL 42 HA VAL 42 0.616 9.328 8.298 320 HB VAL 42 HB VAL 42 -0.338 6.713 9.483 321 1HG1 VAL 42 1HG1 VAL 42 -2.322 8.051 10.159 322 2HG1 VAL 42 2HG1 VAL 42 -1.461 9.501 9.646 323 3HG1 VAL 42 3HG1 VAL 42 -0.835 8.533 10.979 324 1HG2 VAL 42 1HG2 VAL 42 -2.258 6.987 7.987 325 2HG2 VAL 42 2HG2 VAL 42 -0.748 6.836 7.090 326 3HG2 VAL 42 3HG2 VAL 42 -1.503 8.419 7.287 327 H ILE 43 H ILE 43 2.353 6.742 9.920 328 HA ILE 43 HA ILE 43 2.435 7.881 12.490 329 HB ILE 43 HB ILE 43 4.308 5.937 11.144 330 1HG1 ILE 43 2HG1 ILE 43 1.899 5.275 11.375 331 2HG1 ILE 43 1HG1 ILE 43 3.015 4.231 12.240 332 1HG2 ILE 43 1HG2 ILE 43 4.057 6.616 14.072 333 2HG2 ILE 43 2HG2 ILE 43 5.429 6.999 13.032 334 3HG2 ILE 43 3HG2 ILE 43 5.041 5.317 13.399 335 1HD1 ILE 43 1HD1 ILE 43 1.024 4.673 13.550 336 2HD1 ILE 43 2HD1 ILE 43 1.328 6.409 13.450 337 3HD1 ILE 43 3HD1 ILE 43 2.447 5.367 14.328 338 H GLU 44 H GLU 44 4.649 8.219 9.709 339 HA GLU 44 HA GLU 44 6.583 9.692 11.205 340 1HB GLU 44 2HB GLU 44 7.600 10.251 9.032 341 2HB GLU 44 1HB GLU 44 7.306 8.529 9.218 342 1HG GLU 44 2HG GLU 44 5.584 8.530 7.667 343 2HG GLU 44 1HG GLU 44 5.335 10.269 7.798 344 H ASN 45 H ASN 45 3.907 10.632 9.091 345 HA ASN 45 HA ASN 45 4.527 13.436 9.288 346 1HB ASN 45 2HB ASN 45 2.243 11.885 8.089 347 2HB ASN 45 1HB ASN 45 2.196 13.642 8.202 348 1HD2 ASN 45 1HD2 ASN 45 3.745 10.901 6.727 349 2HD2 ASN 45 2HD2 ASN 45 4.590 11.782 5.499 350 H ASN 46 H ASN 46 2.945 11.194 11.207 351 HA ASN 46 HA ASN 46 1.763 11.277 13.123 352 1HB ASN 46 2HB ASN 46 3.688 12.779 13.750 353 2HB ASN 46 1HB ASN 46 2.672 14.151 13.331 354 1HD2 ASN 46 1HD2 ASN 46 3.281 11.628 15.620 355 2HD2 ASN 46 2HD2 ASN 46 2.195 12.189 16.842 356 H LEU 47 H LEU 47 -0.022 11.233 11.377 357 HA LEU 47 HA LEU 47 -1.753 13.562 11.565 358 1HB LEU 47 2HB LEU 47 -2.297 10.896 10.269 359 2HB LEU 47 1HB LEU 47 -3.248 12.347 10.095 360 HG LEU 47 HG LEU 47 -0.424 11.997 9.097 361 1HD1 LEU 47 1HD1 LEU 47 -3.049 12.079 7.613 362 2HD1 LEU 47 2HD1 LEU 47 -2.022 10.661 7.834 363 3HD1 LEU 47 3HD1 LEU 47 -1.448 12.027 6.875 364 1HD2 LEU 47 1HD2 LEU 47 -0.935 14.304 9.735 365 2HD2 LEU 47 2HD2 LEU 47 -2.376 14.265 8.719 366 3HD2 LEU 47 3HD2 LEU 47 -0.778 14.137 7.986 367 H LYS 48 H LYS 48 -1.886 13.428 13.854 368 HA LYS 48 HA LYS 48 -2.767 11.143 15.255 369 1HB LYS 48 2HB LYS 48 -1.512 13.152 16.166 370 2HB LYS 48 1HB LYS 48 -3.043 14.012 16.154 371 1HG LYS 48 2HG LYS 48 -3.951 12.631 17.817 372 2HG LYS 48 1HG LYS 48 -2.678 11.423 17.623 373 1HD LYS 48 2HD LYS 48 -1.034 13.054 18.456 374 2HD LYS 48 1HD LYS 48 -2.331 14.224 18.696 375 1HE LYS 48 2HE LYS 48 -3.350 12.865 20.369 376 2HE LYS 48 1HE LYS 48 -2.272 11.515 20.008 377 1HZ LYS 48 1HZ LYS 48 -1.331 14.141 21.019 378 2HZ LYS 48 2HZ LYS 48 -0.432 12.705 20.883 379 3HZ LYS 48 3HZ LYS 48 -1.682 12.825 22.027 380 H GLU 49 H GLU 49 -4.380 13.545 13.460 381 HA GLU 49 HA GLU 49 -6.970 13.484 14.477 382 1HB GLU 49 2HB GLU 49 -5.952 14.938 12.620 383 2HB GLU 49 1HB GLU 49 -6.291 13.594 11.546 384 1HG GLU 49 2HG GLU 49 -8.534 14.598 13.189 385 2HG GLU 49 1HG GLU 49 -7.955 15.635 11.889 386 H ILE 50 H ILE 50 -5.204 11.194 12.518 387 HA ILE 50 HA ILE 50 -7.571 9.501 12.164 388 HB ILE 50 HB ILE 50 -4.752 9.046 11.160 389 1HG1 ILE 50 2HG1 ILE 50 -5.650 11.113 10.204 390 2HG1 ILE 50 1HG1 ILE 50 -5.569 9.851 8.978 391 1HG2 ILE 50 1HG2 ILE 50 -6.086 7.020 11.294 392 2HG2 ILE 50 2HG2 ILE 50 -5.810 7.473 9.613 393 3HG2 ILE 50 3HG2 ILE 50 -7.375 7.786 10.363 394 1HD1 ILE 50 1HD1 ILE 50 -7.618 11.161 8.827 395 2HD1 ILE 50 2HD1 ILE 50 -8.044 10.688 10.471 396 3HD1 ILE 50 3HD1 ILE 50 -7.955 9.469 9.199 397 H THR 51 H THR 51 -4.395 9.575 13.683 398 HA THR 51 HA THR 51 -4.148 6.968 14.553 399 HB THR 51 HB THR 51 -3.271 9.333 16.181 400 HG1 THR 51 1HG THR 51 -1.373 8.520 14.485 401 1HG2 THR 51 1HG2 THR 51 -2.887 7.137 17.169 402 2HG2 THR 51 2HG2 THR 51 -1.363 7.888 16.699 403 3HG2 THR 51 3HG2 THR 51 -2.062 6.613 15.701 404 H ASN 52 H ASN 52 -5.852 9.652 16.152 405 HA ASN 52 HA ASN 52 -6.488 8.057 18.463 406 1HB ASN 52 2HB ASN 52 -7.494 9.953 19.364 407 2HB ASN 52 1HB ASN 52 -6.243 10.633 18.335 408 1HD2 ASN 52 1HD2 ASN 52 -6.846 11.686 16.408 409 2HD2 ASN 52 2HD2 ASN 52 -8.476 12.221 16.140 410 H ASN 53 H ASN 53 -7.783 8.469 15.367 411 HA ASN 53 HA ASN 53 -10.499 7.720 16.030 412 1HB ASN 53 2HB ASN 53 -10.020 9.280 14.178 413 2HB ASN 53 1HB ASN 53 -9.110 8.022 13.352 414 1HD2 ASN 53 1HD2 ASN 53 -10.194 6.458 12.215 415 2HD2 ASN 53 2HD2 ASN 53 -11.901 6.499 11.958 416 H VAL 54 H VAL 54 -7.536 6.209 15.035 417 HA VAL 54 HA VAL 54 -8.539 3.789 14.013 418 HB VAL 54 HB VAL 54 -5.923 4.243 15.469 419 1HG1 VAL 54 1HG1 VAL 54 -6.456 1.874 15.269 420 2HG1 VAL 54 2HG1 VAL 54 -5.110 2.302 14.215 421 3HG1 VAL 54 3HG1 VAL 54 -6.720 2.067 13.536 422 1HG2 VAL 54 1HG2 VAL 54 -4.947 4.538 13.232 423 2HG2 VAL 54 2HG2 VAL 54 -6.155 5.772 13.593 424 3HG2 VAL 54 3HG2 VAL 54 -6.560 4.427 12.526 425 H LYS 55 H LYS 55 -8.287 4.986 17.226 426 HA LYS 55 HA LYS 55 -8.142 2.614 18.708 427 1HB LYS 55 2HB LYS 55 -7.937 5.054 19.479 428 2HB LYS 55 1HB LYS 55 -9.691 5.047 19.556 429 1HG LYS 55 2HG LYS 55 -9.578 3.144 21.135 430 2HG LYS 55 1HG LYS 55 -7.817 3.286 21.126 431 1HD LYS 55 2HD LYS 55 -8.640 4.436 23.052 432 2HD LYS 55 1HD LYS 55 -8.091 5.650 21.895 433 1HE LYS 55 2HE LYS 55 -10.430 5.933 21.145 434 2HE LYS 55 1HE LYS 55 -10.940 4.787 22.385 435 1HZ LYS 55 1HZ LYS 55 -9.711 7.459 22.787 436 2HZ LYS 55 2HZ LYS 55 -9.891 6.322 24.034 437 3HZ LYS 55 3HZ LYS 55 -11.259 6.945 23.258 438 H ASN 56 H ASN 56 -10.664 3.935 16.830 439 HA ASN 56 HA ASN 56 -12.885 2.778 18.177 440 1HB ASN 56 2HB ASN 56 -13.186 4.609 16.579 441 2HB ASN 56 1HB ASN 56 -12.593 3.584 15.275 442 1HD2 ASN 56 1HD2 ASN 56 -15.243 4.318 17.365 443 2HD2 ASN 56 2HD2 ASN 56 -16.414 3.306 16.574 444 H LYS 57 H LYS 57 -11.501 1.864 15.042 445 HA LYS 57 HA LYS 57 -12.711 -0.691 15.068 446 1HB LYS 57 2HB LYS 57 -11.763 0.995 13.180 447 2HB LYS 57 1HB LYS 57 -10.438 -0.154 13.266 448 1HG LYS 57 2HG LYS 57 -13.244 -1.106 12.957 449 2HG LYS 57 1HG LYS 57 -12.333 -0.494 11.581 450 1HD LYS 57 2HD LYS 57 -10.601 -2.154 11.948 451 2HD LYS 57 1HD LYS 57 -11.431 -2.726 13.397 452 1HE LYS 57 2HE LYS 57 -12.536 -2.824 10.593 453 2HE LYS 57 1HE LYS 57 -11.824 -4.184 11.457 454 1HZ LYS 57 1HZ LYS 57 -13.575 -3.864 13.171 455 2HZ LYS 57 2HZ LYS 57 -14.168 -4.334 11.657 456 3HZ LYS 57 3HZ LYS 57 -14.310 -2.723 12.156 457 H GLY 58 H GLY 58 -9.877 0.542 16.392 458 1HA GLY 58 2HA GLY 58 -8.362 -0.549 17.778 459 2HA GLY 58 1HA GLY 58 -9.036 -2.087 17.266 460 H ARG 59 H ARG 59 -8.724 -1.333 14.419 461 HA ARG 59 HA ARG 59 -5.826 -1.327 14.099 462 1HB ARG 59 2HB ARG 59 -6.429 -3.694 14.257 463 2HB ARG 59 1HB ARG 59 -7.659 -3.483 13.018 464 1HG ARG 59 2HG ARG 59 -5.863 -2.859 11.425 465 2HG ARG 59 1HG ARG 59 -4.680 -3.247 12.672 466 1HD ARG 59 2HD ARG 59 -5.403 -5.541 12.715 467 2HD ARG 59 1HD ARG 59 -6.723 -5.183 11.599 468 HE ARG 59 HE ARG 59 -4.844 -4.551 10.001 469 1HH1 ARG 59 1HH1 ARG 59 -4.501 -7.000 12.490 470 2HH1 ARG 59 2HH1 ARG 59 -3.295 -7.893 11.606 471 1HH2 ARG 59 1HH2 ARG 59 -3.263 -5.734 8.845 472 2HH2 ARG 59 2HH2 ARG 59 -2.638 -7.212 9.526 473 H TRP 60 H TRP 60 -5.153 -0.730 12.008 474 HA TRP 60 HA TRP 60 -6.877 0.957 10.496 475 1HB TRP 60 2HB TRP 60 -4.259 -0.274 9.612 476 2HB TRP 60 1HB TRP 60 -5.027 1.162 8.951 477 HD1 TRP 60 HD TRP 60 -3.485 0.053 12.354 478 HE1 TRP 60 1HE TRP 60 -2.273 2.091 13.359 479 HE3 TRP 60 3HE TRP 60 -4.694 3.540 8.816 480 HZ2 TRP 60 2HZ TRP 60 -1.859 4.814 12.717 481 HZ3 TRP 60 3HZ TRP 60 -3.844 5.831 9.084 482 HH2 TRP 60 HH TRP 60 -2.460 6.448 10.990 483 H LYS 61 H LYS 61 -8.142 0.445 8.751 484 HA LYS 61 HA LYS 61 -7.608 -1.959 7.236 485 1HB LYS 61 2HB LYS 61 -9.775 -1.792 9.172 486 2HB LYS 61 1HB LYS 61 -10.336 -2.206 7.559 487 1HG LYS 61 2HG LYS 61 -8.035 -3.671 8.786 488 2HG LYS 61 1HG LYS 61 -9.696 -4.089 9.202 489 1HD LYS 61 2HD LYS 61 -9.021 -5.530 7.419 490 2HD LYS 61 1HD LYS 61 -10.157 -4.358 6.755 491 1HE LYS 61 2HE LYS 61 -8.199 -3.027 5.955 492 2HE LYS 61 1HE LYS 61 -7.154 -4.345 6.483 493 1HZ LYS 61 1HZ LYS 61 -8.314 -5.825 4.951 494 2HZ LYS 61 2HZ LYS 61 -7.648 -4.501 4.126 495 3HZ LYS 61 3HZ LYS 61 -9.312 -4.546 4.446 496 H SER 62 H SER 62 -10.660 -0.226 7.414 497 HA SER 62 HA SER 62 -10.257 0.467 4.600 498 1HB SER 62 2HB SER 62 -12.867 0.823 4.859 499 2HB SER 62 1HB SER 62 -12.179 -0.788 4.647 500 HG SER 62 HG SER 62 -13.538 0.248 6.765 501 H GLU 63 H GLU 63 -12.103 1.893 7.308 502 HA GLU 63 HA GLU 63 -12.383 4.400 6.127 503 1HB GLU 63 2HB GLU 63 -12.382 3.725 9.076 504 2HB GLU 63 1HB GLU 63 -13.017 5.197 8.366 505 1HG GLU 63 2HG GLU 63 -14.846 3.773 8.881 506 2HG GLU 63 1HG GLU 63 -14.672 3.814 7.129 507 H ASN 64 H ASN 64 -10.091 3.329 8.590 508 HA ASN 64 HA ASN 64 -8.860 5.765 9.076 509 1HB ASN 64 2HB ASN 64 -7.922 2.918 9.368 510 2HB ASN 64 1HB ASN 64 -6.943 4.285 9.868 511 1HD2 ASN 64 1HD2 ASN 64 -8.214 2.094 11.402 512 2HD2 ASN 64 2HD2 ASN 64 -9.156 2.884 12.612 513 H LEU 65 H LEU 65 -8.228 3.385 6.555 514 HA LEU 65 HA LEU 65 -5.664 4.553 5.933 515 1HB LEU 65 2HB LEU 65 -7.232 2.320 4.668 516 2HB LEU 65 1HB LEU 65 -5.693 2.884 4.042 517 HG LEU 65 HG LEU 65 -6.156 1.689 6.777 518 1HD1 LEU 65 1HD1 LEU 65 -4.726 0.632 4.345 519 2HD1 LEU 65 2HD1 LEU 65 -6.260 0.045 4.990 520 3HD1 LEU 65 3HD1 LEU 65 -4.779 -0.143 5.929 521 1HD2 LEU 65 1HD2 LEU 65 -4.417 3.399 6.821 522 2HD2 LEU 65 2HD2 LEU 65 -3.619 2.631 5.449 523 3HD2 LEU 65 3HD2 LEU 65 -3.723 1.788 6.995 524 H PHE 66 H PHE 66 -8.882 4.488 4.476 525 HA PHE 66 HA PHE 66 -8.100 5.825 2.093 526 1HB PHE 66 2HB PHE 66 -10.176 4.451 2.328 527 2HB PHE 66 1HB PHE 66 -10.849 5.712 3.354 528 HD1 PHE 66 2HD PHE 66 -9.605 5.003 -0.050 529 HD2 PHE 66 1HD PHE 66 -11.896 7.597 2.421 530 HE1 PHE 66 2HE PHE 66 -10.442 6.165 -2.052 531 HE2 PHE 66 1HE PHE 66 -12.735 8.765 0.427 532 HZ PHE 66 HZ PHE 66 -12.008 8.053 -1.812 533 H LYS 67 H LYS 67 -9.275 6.861 5.234 534 HA LYS 67 HA LYS 67 -9.619 9.607 4.573 535 1HB LYS 67 2HB LYS 67 -10.226 8.011 6.714 536 2HB LYS 67 1HB LYS 67 -8.893 8.954 7.350 537 1HG LYS 67 2HG LYS 67 -11.320 10.188 6.076 538 2HG LYS 67 1HG LYS 67 -11.180 9.865 7.803 539 1HD LYS 67 2HD LYS 67 -9.114 11.273 7.815 540 2HD LYS 67 1HD LYS 67 -9.466 11.708 6.142 541 1HE LYS 67 2HE LYS 67 -11.565 12.694 6.794 542 2HE LYS 67 1HE LYS 67 -11.350 12.142 8.454 543 1HZ LYS 67 1HZ LYS 67 -9.397 13.586 8.627 544 2HZ LYS 67 2HZ LYS 67 -10.800 14.463 8.259 545 3HZ LYS 67 3HZ LYS 67 -9.668 14.142 7.046 546 H ALA 68 H ALA 68 -7.000 7.718 5.992 547 HA ALA 68 HA ALA 68 -5.274 9.878 6.565 548 1HB ALA 68 1HB ALA 68 -4.575 6.982 6.093 549 2HB ALA 68 2HB ALA 68 -5.067 7.689 7.631 550 3HB ALA 68 3HB ALA 68 -3.553 8.187 6.879 551 H SER 69 H SER 69 -5.431 7.671 3.763 552 HA SER 69 HA SER 69 -3.086 8.629 2.535 553 1HB SER 69 2HB SER 69 -4.106 7.573 0.448 554 2HB SER 69 1HB SER 69 -3.881 6.513 1.839 555 HG SER 69 HG SER 69 -5.998 6.430 2.157 556 H LYS 70 H LYS 70 -6.422 9.700 2.371 557 HA LYS 70 HA LYS 70 -6.224 11.521 0.247 558 1HB LYS 70 2HB LYS 70 -8.274 10.731 1.603 559 2HB LYS 70 1HB LYS 70 -7.853 11.999 2.733 560 1HG LYS 70 2HG LYS 70 -8.215 12.649 -0.157 561 2HG LYS 70 1HG LYS 70 -9.619 12.448 0.891 562 1HD LYS 70 2HD LYS 70 -8.717 14.185 2.391 563 2HD LYS 70 1HD LYS 70 -7.349 14.400 1.295 564 1HE LYS 70 2HE LYS 70 -8.777 15.177 -0.450 565 2HE LYS 70 1HE LYS 70 -10.222 14.736 0.459 566 1HZ LYS 70 1HZ LYS 70 -9.794 17.116 0.543 567 2HZ LYS 70 2HZ LYS 70 -8.273 16.842 1.247 568 3HZ LYS 70 3HZ LYS 70 -9.682 16.424 2.088 569 H LEU 71 H LEU 71 -5.754 11.933 3.712 570 HA LEU 71 HA LEU 71 -4.936 14.639 3.642 571 1HB LEU 71 2HB LEU 71 -4.321 12.502 5.685 572 2HB LEU 71 1HB LEU 71 -4.077 14.221 5.918 573 HG LEU 71 HG LEU 71 -6.741 12.868 5.497 574 1HD1 LEU 71 1HD1 LEU 71 -7.154 13.458 7.826 575 2HD1 LEU 71 2HD1 LEU 71 -5.521 14.113 7.954 576 3HD1 LEU 71 3HD1 LEU 71 -5.760 12.388 7.674 577 1HD2 LEU 71 1HD2 LEU 71 -7.702 15.051 6.016 578 2HD2 LEU 71 2HD2 LEU 71 -6.706 15.124 4.563 579 3HD2 LEU 71 3HD2 LEU 71 -6.087 15.753 6.089 580 H LEU 72 H LEU 72 -3.193 11.622 3.279 581 HA LEU 72 HA LEU 72 -0.581 12.570 3.674 582 1HB LEU 72 2HB LEU 72 -1.642 10.243 2.093 583 2HB LEU 72 1HB LEU 72 0.073 10.565 2.262 584 HG LEU 72 HG LEU 72 -1.826 10.006 4.545 585 1HD1 LEU 72 1HD1 LEU 72 -0.695 7.867 4.710 586 2HD1 LEU 72 2HD1 LEU 72 0.315 8.271 3.322 587 3HD1 LEU 72 3HD1 LEU 72 -1.422 8.051 3.114 588 1HD2 LEU 72 1HD2 LEU 72 0.223 9.852 5.889 589 2HD2 LEU 72 2HD2 LEU 72 0.009 11.464 5.205 590 3HD2 LEU 72 3HD2 LEU 72 1.172 10.350 4.488 591 H ARG 73 H ARG 73 -2.709 13.313 1.156 592 HA ARG 73 HA ARG 73 -0.903 13.697 -0.972 593 1HB ARG 73 2HB ARG 73 -3.339 13.764 -1.280 594 2HB ARG 73 1HB ARG 73 -3.435 15.225 -0.311 595 1HG ARG 73 2HG ARG 73 -1.667 15.298 -2.682 596 2HG ARG 73 1HG ARG 73 -3.405 15.243 -2.972 597 1HD ARG 73 2HD ARG 73 -2.083 17.231 -1.138 598 2HD ARG 73 1HD ARG 73 -2.405 17.544 -2.841 599 HE ARG 73 HE ARG 73 -4.818 17.088 -2.225 600 1HH1 ARG 73 1HH1 ARG 73 -2.517 18.375 0.092 601 2HH1 ARG 73 2HH1 ARG 73 -3.720 19.240 0.988 602 1HH2 ARG 73 1HH2 ARG 73 -6.389 18.240 -1.035 603 2HH2 ARG 73 2HH2 ARG 73 -5.909 19.177 0.352 604 H SER 74 H SER 74 -1.445 15.413 1.972 605 HA SER 74 HA SER 74 -0.128 17.837 1.222 606 1HB SER 74 2HB SER 74 -0.750 16.624 3.921 607 2HB SER 74 1HB SER 74 -0.088 18.243 3.691 608 HG SER 74 HG SER 74 -1.999 18.928 3.189 609 H ASN 75 H ASN 75 1.000 14.728 1.731 610 HA ASN 75 HA ASN 75 3.682 15.693 2.457 611 1HB ASN 75 2HB ASN 75 2.769 13.803 3.801 612 2HB ASN 75 1HB ASN 75 2.657 12.840 2.333 613 1HD2 ASN 75 1HD2 ASN 75 4.045 11.297 3.224 614 2HD2 ASN 75 2HD2 ASN 75 5.747 11.564 3.363 615 H ASN 76 H ASN 76 2.046 13.481 0.209 616 HA ASN 76 HA ASN 76 3.696 14.493 -1.968 617 1HB ASN 76 2HB ASN 76 4.927 12.518 -1.121 618 2HB ASN 76 1HB ASN 76 3.487 11.534 -1.347 619 1HD2 ASN 76 1HD2 ASN 76 6.167 13.081 -2.862 620 2HD2 ASN 76 2HD2 ASN 76 5.933 12.401 -4.441 621 H THR 77 H THR 77 2.618 14.462 -3.925 622 HA THR 77 HA THR 77 -0.215 14.439 -3.693 623 HB THR 77 HB THR 77 1.396 14.658 -6.230 624 HG1 THR 77 1HG THR 77 2.005 16.568 -5.551 625 1HG2 THR 77 1HG2 THR 77 -0.997 14.358 -6.599 626 2HG2 THR 77 2HG2 THR 77 -0.514 16.005 -7.008 627 3HG2 THR 77 3HG2 THR 77 -1.347 15.680 -5.487 628 H GLU 78 H GLU 78 2.105 12.131 -4.943 629 HA GLU 78 HA GLU 78 0.224 10.712 -6.545 630 1HB GLU 78 2HB GLU 78 3.015 10.061 -5.631 631 2HB GLU 78 1HB GLU 78 2.087 9.051 -6.724 632 1HG GLU 78 2HG GLU 78 1.983 10.831 -8.347 633 2HG GLU 78 1HG GLU 78 2.811 11.921 -7.241 634 H ILE 79 H ILE 79 1.075 10.605 -3.207 635 HA ILE 79 HA ILE 79 0.854 7.923 -2.578 636 HB ILE 79 HB ILE 79 -0.021 10.249 -0.864 637 1HG1 ILE 79 2HG1 ILE 79 2.598 8.730 -0.985 638 2HG1 ILE 79 1HG1 ILE 79 2.336 10.359 -1.597 639 1HG2 ILE 79 1HG2 ILE 79 0.277 8.725 1.027 640 2HG2 ILE 79 2HG2 ILE 79 0.633 7.405 -0.088 641 3HG2 ILE 79 3HG2 ILE 79 -0.969 8.142 -0.076 642 1HD1 ILE 79 1HD1 ILE 79 3.451 10.451 0.525 643 2HD1 ILE 79 2HD1 ILE 79 2.190 9.472 1.273 644 3HD1 ILE 79 3HD1 ILE 79 1.819 11.098 0.697 645 HA PRO 80 HA PRO 80 -3.936 8.404 -1.728 646 1HB PRO 80 2HB PRO 80 -5.125 10.450 -3.155 647 2HB PRO 80 1HB PRO 80 -4.698 10.535 -1.444 648 1HG PRO 80 2HG PRO 80 -3.217 11.577 -3.819 649 2HG PRO 80 1HG PRO 80 -3.459 12.326 -2.231 650 1HD PRO 80 2HD PRO 80 -1.141 11.149 -2.869 651 2HD PRO 80 1HD PRO 80 -1.810 11.037 -1.228 652 H ILE 81 H ILE 81 -2.535 9.379 -4.795 653 HA ILE 81 HA ILE 81 -4.536 8.233 -6.452 654 HB ILE 81 HB ILE 81 -1.651 8.841 -7.125 655 1HG1 ILE 81 2HG1 ILE 81 -4.130 10.534 -7.513 656 2HG1 ILE 81 1HG1 ILE 81 -2.914 10.799 -6.268 657 1HG2 ILE 81 1HG2 ILE 81 -2.465 8.952 -9.450 658 2HG2 ILE 81 2HG2 ILE 81 -4.050 8.404 -8.906 659 3HG2 ILE 81 3HG2 ILE 81 -2.647 7.346 -8.749 660 1HD1 ILE 81 1HD1 ILE 81 -2.623 12.321 -8.132 661 2HD1 ILE 81 2HD1 ILE 81 -2.462 10.958 -9.240 662 3HD1 ILE 81 3HD1 ILE 81 -1.246 11.233 -7.992 663 H LEU 82 H LEU 82 -1.437 7.101 -5.183 664 HA LEU 82 HA LEU 82 -1.311 4.665 -6.583 665 1HB LEU 82 2HB LEU 82 -0.232 5.234 -3.818 666 2HB LEU 82 1HB LEU 82 0.311 3.976 -4.914 667 HG LEU 82 HG LEU 82 0.627 6.948 -5.323 668 1HD1 LEU 82 1HD1 LEU 82 3.017 6.473 -5.084 669 2HD1 LEU 82 2HD1 LEU 82 2.638 4.790 -4.713 670 3HD1 LEU 82 3HD1 LEU 82 2.114 6.075 -3.622 671 1HD2 LEU 82 1HD2 LEU 82 1.948 6.339 -7.287 672 2HD2 LEU 82 2HD2 LEU 82 0.273 5.809 -7.439 673 3HD2 LEU 82 3HD2 LEU 82 1.532 4.643 -7.037 674 H TRP 83 H TRP 83 -2.669 5.477 -3.415 675 HA TRP 83 HA TRP 83 -3.491 2.875 -2.705 676 1HB TRP 83 2HB TRP 83 -3.342 4.793 -1.124 677 2HB TRP 83 1HB TRP 83 -4.741 5.519 -1.906 678 HD1 TRP 83 HD TRP 83 -6.915 5.102 -0.647 679 HE1 TRP 83 1HE TRP 83 -7.816 3.299 0.951 680 HE3 TRP 83 3HE TRP 83 -2.913 1.924 -0.658 681 HZ2 TRP 83 2HZ TRP 83 -6.940 0.852 2.060 682 HZ3 TRP 83 3HZ TRP 83 -3.031 -0.116 0.682 683 HH2 TRP 83 HH TRP 83 -5.000 -0.646 2.016 684 H LYS 84 H LYS 84 -5.100 5.488 -4.455 685 HA LYS 84 HA LYS 84 -7.601 4.165 -4.749 686 1HB LYS 84 2HB LYS 84 -7.149 6.651 -4.954 687 2HB LYS 84 1HB LYS 84 -6.470 6.314 -6.536 688 1HG LYS 84 2HG LYS 84 -8.551 5.597 -7.390 689 2HG LYS 84 1HG LYS 84 -9.275 5.547 -5.784 690 1HD LYS 84 2HD LYS 84 -9.058 7.980 -5.609 691 2HD LYS 84 1HD LYS 84 -8.321 8.029 -7.210 692 1HE LYS 84 2HE LYS 84 -11.068 6.913 -6.699 693 2HE LYS 84 1HE LYS 84 -10.777 8.605 -7.105 694 1HZ LYS 84 1HZ LYS 84 -9.890 6.330 -8.795 695 2HZ LYS 84 2HZ LYS 84 -9.876 7.979 -9.196 696 3HZ LYS 84 3HZ LYS 84 -11.348 7.159 -9.024 697 H SER 85 H SER 85 -4.663 4.327 -6.649 698 HA SER 85 HA SER 85 -5.560 2.988 -8.946 699 1HB SER 85 2HB SER 85 -3.358 4.199 -8.673 700 2HB SER 85 1HB SER 85 -2.783 2.816 -7.744 701 HG SER 85 HG SER 85 -2.133 2.577 -9.872 702 H ALA 86 H ALA 86 -4.111 1.751 -5.940 703 HA ALA 86 HA ALA 86 -4.236 -0.984 -6.612 704 1HB ALA 86 1HB ALA 86 -4.321 0.305 -3.884 705 2HB ALA 86 2HB ALA 86 -2.862 -0.091 -4.790 706 3HB ALA 86 3HB ALA 86 -3.924 -1.381 -4.225 707 H TRP 87 H TRP 87 -6.488 1.178 -4.983 708 HA TRP 87 HA TRP 87 -8.461 -0.637 -4.251 709 1HB TRP 87 2HB TRP 87 -8.575 1.611 -3.445 710 2HB TRP 87 1HB TRP 87 -8.614 2.262 -5.076 711 HD1 TRP 87 HD TRP 87 -10.896 3.177 -5.631 712 HE1 TRP 87 1HE TRP 87 -13.337 2.580 -5.086 713 HE3 TRP 87 3HE TRP 87 -10.081 -0.926 -2.697 714 HZ2 TRP 87 2HZ TRP 87 -14.735 0.622 -3.609 715 HZ3 TRP 87 3HZ TRP 87 -12.029 -2.107 -1.756 716 HH2 TRP 87 HH TRP 87 -14.307 -1.347 -2.203 717 H THR 88 H THR 88 -7.745 0.801 -7.352 718 HA THR 88 HA THR 88 -10.111 0.278 -8.731 719 HB THR 88 HB THR 88 -7.292 0.252 -9.835 720 HG1 THR 88 1HG THR 88 -7.964 2.201 -8.686 721 1HG2 THR 88 1HG2 THR 88 -8.329 0.864 -11.965 722 2HG2 THR 88 2HG2 THR 88 -9.930 0.745 -11.234 723 3HG2 THR 88 3HG2 THR 88 -8.928 -0.697 -11.407 724 H LEU 89 H LEU 89 -7.455 -1.869 -7.895 725 HA LEU 89 HA LEU 89 -8.020 -3.989 -9.652 726 1HB LEU 89 2HB LEU 89 -6.835 -4.066 -6.878 727 2HB LEU 89 1HB LEU 89 -6.784 -5.386 -8.031 728 HG LEU 89 HG LEU 89 -5.481 -2.690 -8.428 729 1HD1 LEU 89 1HD1 LEU 89 -3.382 -3.889 -8.091 730 2HD1 LEU 89 2HD1 LEU 89 -4.277 -5.366 -7.740 731 3HD1 LEU 89 3HD1 LEU 89 -4.405 -3.980 -6.658 732 1HD2 LEU 89 1HD2 LEU 89 -5.312 -5.228 -10.051 733 2HD2 LEU 89 2HD2 LEU 89 -4.409 -3.743 -10.350 734 3HD2 LEU 89 3HD2 LEU 89 -6.164 -3.758 -10.524 735 H HIS 90 H HIS 90 -9.475 -3.050 -6.607 736 HA HIS 90 HA HIS 90 -10.989 -5.518 -6.417 737 1HB HIS 90 2HB HIS 90 -10.742 -3.077 -4.702 738 2HB HIS 90 1HB HIS 90 -12.139 -4.130 -4.506 739 HD1 HIS 90 1HD HIS 90 -9.612 -3.656 -2.489 740 HD2 HIS 90 2HD HIS 90 -10.444 -6.981 -4.848 741 HE1 HIS 90 1HE HIS 90 -8.444 -5.591 -1.378 742 HE2 HIS 90 2HE HIS 90 -8.976 -7.601 -2.811 743 H VAL 91 H VAL 91 -11.374 -2.322 -7.671 744 HA VAL 91 HA VAL 91 -14.194 -2.258 -7.867 745 HB VAL 91 HB VAL 91 -12.151 -0.941 -9.673 746 1HG1 VAL 91 1HG1 VAL 91 -15.069 -0.327 -9.234 747 2HG1 VAL 91 2HG1 VAL 91 -14.343 -0.973 -10.705 748 3HG1 VAL 91 3HG1 VAL 91 -13.949 0.662 -10.172 749 1HG2 VAL 91 1HG2 VAL 91 -13.531 0.100 -7.199 750 2HG2 VAL 91 2HG2 VAL 91 -12.487 1.042 -8.263 751 3HG2 VAL 91 3HG2 VAL 91 -11.822 -0.310 -7.347 752 H GLU 92 H GLU 92 -11.662 -3.635 -9.871 753 HA GLU 92 HA GLU 92 -13.454 -4.346 -12.011 754 1HB GLU 92 2HB GLU 92 -10.988 -3.806 -12.256 755 2HB GLU 92 1HB GLU 92 -10.658 -5.379 -11.543 756 1HG GLU 92 2HG GLU 92 -10.517 -5.427 -13.980 757 2HG GLU 92 1HG GLU 92 -11.794 -6.482 -13.375 758 H GLY 93 H GLY 93 -13.042 -5.536 -8.976 759 1HA GLY 93 2HA GLY 93 -13.353 -8.349 -9.572 760 2HA GLY 93 1HA GLY 93 -13.460 -7.598 -7.984 761 H PHE 94 H PHE 94 -15.198 -7.610 -11.080 762 HA PHE 94 HA PHE 94 -17.656 -6.816 -9.831 763 1HB PHE 94 2HB PHE 94 -16.996 -6.120 -12.131 764 2HB PHE 94 1HB PHE 94 -17.180 -7.790 -12.657 765 HD1 PHE 94 2HD PHE 94 -19.012 -4.910 -11.234 766 HD2 PHE 94 1HD PHE 94 -19.266 -8.629 -13.283 767 HE1 PHE 94 2HE PHE 94 -21.395 -4.496 -11.675 768 HE2 PHE 94 1HE PHE 94 -21.649 -8.224 -13.725 769 HZ PHE 94 HZ PHE 94 -22.717 -6.158 -12.921 770 H HIS 95 H HIS 95 -16.671 -9.745 -11.633 771 HA HIS 95 HA HIS 95 -18.713 -11.214 -10.091 772 1HB HIS 95 2HB HIS 95 -19.327 -10.917 -12.497 773 2HB HIS 95 1HB HIS 95 -17.872 -11.805 -12.936 774 HD1 HIS 95 1HD HIS 95 -18.098 -14.289 -13.090 775 HD2 HIS 95 2HD HIS 95 -21.211 -12.550 -10.954 776 HE1 HIS 95 1HE HIS 95 -19.720 -16.150 -12.631 777 HE2 HIS 95 2HE HIS 95 -21.655 -15.055 -11.438 778 H GLU 96 H GLU 96 -15.658 -11.482 -11.870 779 HA GLU 96 HA GLU 96 -14.851 -13.571 -9.961 780 1HB GLU 96 2HB GLU 96 -14.288 -13.518 -12.932 781 2HB GLU 96 1HB GLU 96 -13.545 -14.634 -11.797 782 1HG GLU 96 2HG GLU 96 -15.805 -15.483 -11.235 783 2HG GLU 96 1HG GLU 96 -16.460 -14.453 -12.507 784 H LEU 97 H LEU 97 -12.573 -13.696 -9.573 785 HA LEU 97 HA LEU 97 -11.231 -11.119 -9.938 786 1HB LEU 97 2HB LEU 97 -10.616 -13.481 -8.160 787 2HB LEU 97 1HB LEU 97 -9.551 -12.102 -8.323 788 HG LEU 97 HG LEU 97 -10.754 -11.783 -6.313 789 1HD1 LEU 97 1HD1 LEU 97 -12.056 -10.097 -8.442 790 2HD1 LEU 97 2HD1 LEU 97 -10.514 -9.771 -7.651 791 3HD1 LEU 97 3HD1 LEU 97 -12.010 -9.731 -6.718 792 1HD2 LEU 97 1HD2 LEU 97 -13.196 -11.816 -6.166 793 2HD2 LEU 97 2HD2 LEU 97 -12.556 -13.376 -6.683 794 3HD2 LEU 97 3HD2 LEU 97 -13.291 -12.288 -7.861 795 H SER 98 H SER 98 -10.545 -11.229 -12.051 796 HA SER 98 HA SER 98 -8.607 -13.370 -12.645 797 1HB SER 98 2HB SER 98 -10.225 -11.787 -14.657 798 2HB SER 98 1HB SER 98 -9.198 -13.184 -14.985 799 HG SER 98 HG SER 98 -10.784 -14.135 -13.264 800 H LEU 99 H LEU 99 -9.447 -10.058 -13.630 801 HA LEU 99 HA LEU 99 -8.237 -8.199 -14.031 802 1HB LEU 99 2HB LEU 99 -6.199 -9.610 -12.324 803 2HB LEU 99 1HB LEU 99 -6.051 -7.945 -12.856 804 HG LEU 99 HG LEU 99 -8.262 -9.023 -11.101 805 1HD1 LEU 99 1HD1 LEU 99 -7.204 -7.725 -9.324 806 2HD1 LEU 99 2HD1 LEU 99 -5.888 -7.298 -10.417 807 3HD1 LEU 99 3HD1 LEU 99 -6.125 -8.978 -9.938 808 1HD2 LEU 99 1HD2 LEU 99 -9.006 -7.164 -12.479 809 2HD2 LEU 99 2HD2 LEU 99 -7.615 -6.208 -11.967 810 3HD2 LEU 99 3HD2 LEU 99 -8.851 -6.664 -10.795 811 H ASN 100 H ASN 100 -6.622 -7.308 -15.374 812 HA ASN 100 HA ASN 100 -5.501 -9.263 -17.242 813 1HB ASN 100 2HB ASN 100 -5.672 -6.254 -17.465 814 2HB ASN 100 1HB ASN 100 -5.066 -7.331 -18.710 815 1HD2 ASN 100 1HD2 ASN 100 -7.882 -6.134 -17.083 816 2HD2 ASN 100 2HD2 ASN 100 -9.047 -6.803 -18.177 817 H GLU 101 H GLU 101 -3.321 -9.154 -17.882 818 HA GLU 101 HA GLU 101 -1.585 -8.827 -15.626 819 1HB GLU 101 2HB GLU 101 -1.445 -10.625 -17.443 820 2HB GLU 101 1HB GLU 101 -0.736 -9.385 -18.464 821 1HG GLU 101 2HG GLU 101 1.009 -9.069 -16.682 822 2HG GLU 101 1HG GLU 101 0.365 -10.512 -15.907 823 H LYS 102 H LYS 102 -2.308 -7.118 -18.557 824 HA LYS 102 HA LYS 102 -0.177 -5.376 -18.792 825 1HB LYS 102 2HB LYS 102 -2.138 -5.764 -20.344 826 2HB LYS 102 1HB LYS 102 -3.073 -4.706 -19.306 827 1HG LYS 102 2HG LYS 102 -0.507 -3.775 -20.520 828 2HG LYS 102 1HG LYS 102 -2.012 -3.764 -21.434 829 1HD LYS 102 2HD LYS 102 -3.045 -2.335 -19.763 830 2HD LYS 102 1HD LYS 102 -1.583 -2.404 -18.779 831 1HE LYS 102 2HE LYS 102 -0.340 -1.340 -20.645 832 2HE LYS 102 1HE LYS 102 -1.861 -1.179 -21.521 833 1HZ LYS 102 1HZ LYS 102 -1.289 0.866 -20.370 834 2HZ LYS 102 2HZ LYS 102 -1.245 0.045 -18.884 835 3HZ LYS 102 3HZ LYS 102 -2.711 0.200 -19.718 836 H GLU 103 H GLU 103 -3.135 -5.030 -16.868 837 HA GLU 103 HA GLU 103 -2.449 -2.416 -15.959 838 1HB GLU 103 2HB GLU 103 -4.781 -3.692 -16.090 839 2HB GLU 103 1HB GLU 103 -4.377 -4.072 -14.418 840 1HG GLU 103 2HG GLU 103 -5.754 -2.041 -14.642 841 2HG GLU 103 1HG GLU 103 -4.196 -1.744 -13.871 842 H VAL 104 H VAL 104 -1.880 -5.650 -14.783 843 HA VAL 104 HA VAL 104 -1.108 -5.050 -12.144 844 HB VAL 104 HB VAL 104 -0.076 -7.260 -13.943 845 1HG1 VAL 104 1HG1 VAL 104 1.388 -6.898 -12.023 846 2HG1 VAL 104 2HG1 VAL 104 0.505 -8.416 -11.861 847 3HG1 VAL 104 3HG1 VAL 104 0.004 -7.001 -10.936 848 1HG2 VAL 104 1HG2 VAL 104 -1.750 -8.658 -12.855 849 2HG2 VAL 104 2HG2 VAL 104 -2.511 -7.294 -13.673 850 3HG2 VAL 104 3HG2 VAL 104 -2.316 -7.273 -11.920 851 H LYS 105 H LYS 105 0.611 -4.915 -15.200 852 HA LYS 105 HA LYS 105 3.235 -4.522 -14.317 853 1HB LYS 105 2HB LYS 105 2.072 -3.002 -16.649 854 2HB LYS 105 1HB LYS 105 3.709 -3.600 -16.450 855 1HG LYS 105 2HG LYS 105 1.406 -5.493 -16.668 856 2HG LYS 105 1HG LYS 105 2.127 -4.775 -18.101 857 1HD LYS 105 2HD LYS 105 4.279 -5.743 -17.535 858 2HD LYS 105 1HD LYS 105 3.610 -6.396 -16.034 859 1HE LYS 105 2HE LYS 105 2.296 -7.947 -17.144 860 2HE LYS 105 1HE LYS 105 2.339 -7.051 -18.658 861 1HZ LYS 105 1HZ LYS 105 3.666 -9.094 -18.695 862 2HZ LYS 105 2HZ LYS 105 4.670 -8.472 -17.479 863 3HZ LYS 105 3HZ LYS 105 4.597 -7.711 -18.995 864 H LYS 106 H LYS 106 0.573 -2.280 -14.766 865 HA LYS 106 HA LYS 106 2.009 0.114 -14.244 866 1HB LYS 106 2HB LYS 106 -0.217 -0.233 -15.481 867 2HB LYS 106 1HB LYS 106 -0.953 -0.260 -13.887 868 1HG LYS 106 2HG LYS 106 0.824 2.017 -14.523 869 2HG LYS 106 1HG LYS 106 -0.732 1.946 -15.336 870 1HD LYS 106 2HD LYS 106 -0.246 1.934 -12.363 871 2HD LYS 106 1HD LYS 106 -0.908 3.264 -13.315 872 1HE LYS 106 2HE LYS 106 -2.182 0.578 -12.808 873 2HE LYS 106 1HE LYS 106 -2.701 2.133 -12.165 874 1HZ LYS 106 1HZ LYS 106 -4.131 1.816 -13.921 875 2HZ LYS 106 2HZ LYS 106 -2.969 1.064 -14.895 876 3HZ LYS 106 3HZ LYS 106 -2.917 2.745 -14.663 877 H LEU 107 H LEU 107 -0.177 -1.893 -12.294 878 HA LEU 107 HA LEU 107 -0.130 -0.333 -9.966 879 1HB LEU 107 2HB LEU 107 -0.872 -3.107 -10.642 880 2HB LEU 107 1HB LEU 107 -0.481 -2.817 -8.958 881 HG LEU 107 HG LEU 107 -2.865 -2.632 -9.290 882 1HD1 LEU 107 1HD1 LEU 107 -3.228 -0.385 -8.395 883 2HD1 LEU 107 2HD1 LEU 107 -1.585 0.059 -8.855 884 3HD1 LEU 107 3HD1 LEU 107 -1.852 -1.182 -7.631 885 1HD2 LEU 107 1HD2 LEU 107 -3.843 -0.922 -10.723 886 2HD2 LEU 107 2HD2 LEU 107 -2.864 -2.047 -11.664 887 3HD2 LEU 107 3HD2 LEU 107 -2.234 -0.447 -11.270 888 H LYS 108 H LYS 108 2.068 -2.820 -11.112 889 HA LYS 108 HA LYS 108 3.471 -3.277 -8.736 890 1HB LYS 108 2HB LYS 108 3.691 -4.731 -10.674 891 2HB LYS 108 1HB LYS 108 4.432 -3.431 -11.597 892 1HG LYS 108 2HG LYS 108 6.390 -3.488 -10.281 893 2HG LYS 108 1HG LYS 108 5.633 -4.529 -9.073 894 1HD LYS 108 2HD LYS 108 5.550 -6.359 -10.627 895 2HD LYS 108 1HD LYS 108 6.114 -5.325 -11.941 896 1HE LYS 108 2HE LYS 108 8.260 -5.098 -10.945 897 2HE LYS 108 1HE LYS 108 7.713 -5.852 -9.449 898 1HZ LYS 108 1HZ LYS 108 9.058 -7.250 -11.082 899 2HZ LYS 108 2HZ LYS 108 7.642 -7.336 -12.007 900 3HZ LYS 108 3HZ LYS 108 7.663 -7.941 -10.415 901 H GLU 109 H GLU 109 3.854 -0.772 -11.201 902 HA GLU 109 HA GLU 109 6.240 0.285 -9.996 903 1HB GLU 109 2HB GLU 109 5.927 0.567 -12.384 904 2HB GLU 109 1HB GLU 109 4.420 1.439 -12.121 905 1HG GLU 109 2HG GLU 109 5.510 3.330 -11.319 906 2HG GLU 109 1HG GLU 109 6.987 2.439 -10.959 907 H ASP 110 H ASP 110 2.808 1.154 -10.025 908 HA ASP 110 HA ASP 110 2.948 3.551 -8.599 909 1HB ASP 110 2HB ASP 110 0.800 1.435 -8.749 910 2HB ASP 110 1HB ASP 110 0.595 2.890 -7.785 911 H VAL 111 H VAL 111 2.506 0.252 -7.357 912 HA VAL 111 HA VAL 111 2.484 1.054 -4.633 913 HB VAL 111 HB VAL 111 3.081 -1.671 -5.815 914 1HG1 VAL 111 1HG1 VAL 111 3.910 -1.511 -3.545 915 2HG1 VAL 111 2HG1 VAL 111 2.481 -2.542 -3.611 916 3HG1 VAL 111 3HG1 VAL 111 2.350 -0.893 -2.999 917 1HG2 VAL 111 1HG2 VAL 111 0.892 -0.846 -6.441 918 2HG2 VAL 111 2HG2 VAL 111 0.526 -0.469 -4.759 919 3HG2 VAL 111 3HG2 VAL 111 0.736 -2.147 -5.262 920 H ARG 112 H ARG 112 5.058 0.110 -6.849 921 HA ARG 112 HA ARG 112 7.108 -0.225 -4.951 922 1HB ARG 112 2HB ARG 112 7.358 -0.911 -7.296 923 2HB ARG 112 1HB ARG 112 7.324 0.773 -7.798 924 1HG ARG 112 2HG ARG 112 9.399 1.207 -6.655 925 2HG ARG 112 1HG ARG 112 9.412 -0.431 -5.996 926 1HD ARG 112 2HD ARG 112 10.913 -0.251 -7.906 927 2HD ARG 112 1HD ARG 112 9.576 -1.347 -8.247 928 HE ARG 112 HE ARG 112 8.890 1.227 -9.157 929 1HH1 ARG 112 1HH1 ARG 112 11.199 -1.312 -9.894 930 2HH1 ARG 112 2HH1 ARG 112 11.242 -0.954 -11.593 931 1HH2 ARG 112 1HH2 ARG 112 8.943 1.685 -11.408 932 2HH2 ARG 112 2HH2 ARG 112 9.935 0.718 -12.454 933 H LYS 113 H LYS 113 5.804 2.632 -6.535 934 HA LYS 113 HA LYS 113 7.589 4.590 -5.722 935 1HB LYS 113 2HB LYS 113 4.577 4.682 -5.948 936 2HB LYS 113 1HB LYS 113 5.580 6.098 -5.747 937 1HG LYS 113 2HG LYS 113 6.505 5.893 -7.889 938 2HG LYS 113 1HG LYS 113 5.931 4.231 -8.060 939 1HD LYS 113 2HD LYS 113 3.635 4.983 -8.139 940 2HD LYS 113 1HD LYS 113 4.134 6.643 -7.820 941 1HE LYS 113 2HE LYS 113 5.152 5.166 -10.219 942 2HE LYS 113 1HE LYS 113 3.570 5.943 -10.239 943 1HZ LYS 113 1HZ LYS 113 5.284 7.399 -11.114 944 2HZ LYS 113 2HZ LYS 113 6.148 7.298 -9.659 945 3HZ LYS 113 3HZ LYS 113 4.627 8.046 -9.685 946 H LEU 114 H LEU 114 4.873 3.148 -3.999 947 HA LEU 114 HA LEU 114 5.040 4.897 -1.767 948 1HB LEU 114 2HB LEU 114 2.948 3.986 -2.656 949 2HB LEU 114 1HB LEU 114 3.488 2.368 -2.276 950 HG LEU 114 HG LEU 114 3.511 2.940 0.087 951 1HD1 LEU 114 1HD1 LEU 114 2.402 4.997 0.856 952 2HD1 LEU 114 2HD1 LEU 114 2.301 5.545 -0.818 953 3HD1 LEU 114 3HD1 LEU 114 3.877 5.333 -0.053 954 1HD2 LEU 114 1HD2 LEU 114 1.558 1.871 -0.898 955 2HD2 LEU 114 2HD2 LEU 114 0.883 3.454 -1.290 956 3HD2 LEU 114 3HD2 LEU 114 1.086 2.974 0.395 957 H VAL 115 H VAL 115 5.836 1.501 -2.402 958 HA VAL 115 HA VAL 115 6.376 0.717 0.216 959 HB VAL 115 HB VAL 115 7.581 -0.331 -2.349 960 1HG1 VAL 115 1HG1 VAL 115 7.596 -1.576 0.401 961 2HG1 VAL 115 2HG1 VAL 115 9.001 -0.925 -0.443 962 3HG1 VAL 115 3HG1 VAL 115 8.166 -2.340 -1.083 963 1HG2 VAL 115 1HG2 VAL 115 5.301 -1.326 -0.647 964 2HG2 VAL 115 2HG2 VAL 115 5.936 -2.127 -2.084 965 3HG2 VAL 115 3HG2 VAL 115 5.158 -0.548 -2.225 966 H ILE 116 H ILE 116 8.650 2.000 -2.204 967 HA ILE 116 HA ILE 116 10.966 1.745 -0.642 968 HB ILE 116 HB ILE 116 10.381 3.840 -2.751 969 1HG1 ILE 116 2HG1 ILE 116 11.753 1.150 -2.990 970 2HG1 ILE 116 1HG1 ILE 116 10.124 1.513 -3.554 971 1HG2 ILE 116 1HG2 ILE 116 12.816 4.001 -2.984 972 2HG2 ILE 116 2HG2 ILE 116 13.017 2.879 -1.639 973 3HG2 ILE 116 3HG2 ILE 116 12.287 4.461 -1.366 974 1HD1 ILE 116 1HD1 ILE 116 11.026 3.110 -5.148 975 2HD1 ILE 116 2HD1 ILE 116 11.740 1.515 -5.375 976 3HD1 ILE 116 3HD1 ILE 116 12.659 2.785 -4.566 977 H PHE 117 H PHE 117 8.412 4.117 -0.597 978 HA PHE 117 HA PHE 117 9.938 6.033 0.934 979 1HB PHE 117 2HB PHE 117 8.024 6.575 -0.686 980 2HB PHE 117 1HB PHE 117 6.942 6.019 0.585 981 HD1 PHE 117 1HD PHE 117 9.317 8.614 -0.421 982 HD2 PHE 117 2HD PHE 117 6.602 7.317 2.588 983 HE1 PHE 117 1HE PHE 117 9.401 10.844 0.609 984 HE2 PHE 117 2HE PHE 117 6.682 9.548 3.626 985 HZ PHE 117 HZ PHE 117 8.084 11.313 2.635 986 H ALA 118 H ALA 118 7.468 3.604 1.503 987 HA ALA 118 HA ALA 118 6.959 4.150 4.215 988 1HB ALA 118 1HB ALA 118 5.496 2.752 2.870 989 2HB ALA 118 2HB ALA 118 6.043 1.883 4.305 990 3HB ALA 118 3HB ALA 118 6.764 1.532 2.735 991 H VAL 119 H VAL 119 9.247 1.898 2.688 992 HA VAL 119 HA VAL 119 10.325 0.862 5.082 993 HB VAL 119 HB VAL 119 11.688 1.173 2.393 994 1HG1 VAL 119 1HG1 VAL 119 13.278 0.714 4.184 995 2HG1 VAL 119 2HG1 VAL 119 13.104 -0.688 3.129 996 3HG1 VAL 119 3HG1 VAL 119 12.312 -0.669 4.704 997 1HG2 VAL 119 1HG2 VAL 119 9.597 -0.053 2.199 998 2HG2 VAL 119 2HG2 VAL 119 10.080 -1.124 3.516 999 3HG2 VAL 119 3HG2 VAL 119 10.969 -1.140 1.992 1000 H ASN 120 H ASN 120 11.054 3.681 3.146 1001 HA ASN 120 HA ASN 120 13.470 4.405 4.480 1002 1HB ASN 120 2HB ASN 120 12.501 5.076 2.126 1003 2HB ASN 120 1HB ASN 120 11.735 6.375 3.032 1004 1HD2 ASN 120 1HD2 ASN 120 13.705 6.541 0.958 1005 2HD2 ASN 120 2HD2 ASN 120 15.081 7.351 1.627 1006 H SER 121 H SER 121 10.200 4.617 5.307 1007 HA SER 121 HA SER 121 10.285 7.082 6.759 1008 1HB SER 121 2HB SER 121 8.211 6.144 5.743 1009 2HB SER 121 1HB SER 121 8.265 4.832 6.919 1010 HG SER 121 HG SER 121 7.843 7.598 7.353 1011 H LEU 122 H LEU 122 10.152 3.647 7.705 1012 HA LEU 122 HA LEU 122 10.350 4.243 10.492 1013 1HB LEU 122 2HB LEU 122 10.540 1.672 8.939 1014 2HB LEU 122 1HB LEU 122 10.758 1.729 10.676 1015 HG LEU 122 HG LEU 122 8.440 2.705 10.840 1016 1HD1 LEU 122 1HD1 LEU 122 8.200 3.512 8.557 1017 2HD1 LEU 122 2HD1 LEU 122 6.930 2.352 8.945 1018 3HD1 LEU 122 3HD1 LEU 122 8.300 1.860 7.948 1019 1HD2 LEU 122 1HD2 LEU 122 8.727 -0.042 9.630 1020 2HD2 LEU 122 2HD2 LEU 122 7.337 0.541 10.545 1021 3HD2 LEU 122 3HD2 LEU 122 8.903 0.368 11.336 1022 H GLU 123 H GLU 123 12.551 2.728 8.188 1023 HA GLU 123 HA GLU 123 14.741 3.268 10.056 1024 1HB GLU 123 2HB GLU 123 14.521 1.215 7.850 1025 2HB GLU 123 1HB GLU 123 15.995 1.526 8.762 1026 1HG GLU 123 2HG GLU 123 14.816 0.952 10.839 1027 2HG GLU 123 1HG GLU 123 13.369 0.594 9.904 1028 H HIS 124 H HIS 124 14.370 5.439 9.219 1029 HA HIS 124 HA HIS 124 15.056 6.227 6.589 1030 1HB HIS 124 2HB HIS 124 13.742 7.453 8.473 1031 2HB HIS 124 1HB HIS 124 15.326 7.983 9.020 1032 HD1 HIS 124 1HD HIS 124 13.109 8.178 5.951 1033 HD2 HIS 124 2HD HIS 124 16.241 10.220 7.764 1034 HE1 HIS 124 1HE HIS 124 13.350 10.324 4.662 1035 HE2 HIS 124 2HE HIS 124 15.076 11.644 5.942 1036 H HIS 125 H HIS 125 17.027 6.129 5.682 1037 HA HIS 125 HA HIS 125 19.376 6.496 7.422 1038 1HB HIS 125 2HB HIS 125 19.057 4.103 6.808 1039 2HB HIS 125 1HB HIS 125 19.167 4.547 5.108 1040 HD1 HIS 125 1HD HIS 125 21.422 4.284 4.122 1041 HD2 HIS 125 2HD HIS 125 21.599 4.868 8.241 1042 HE1 HIS 125 1HE HIS 125 23.849 4.071 4.735 1043 HE2 HIS 125 2HE HIS 125 23.919 4.295 7.243 1044 H HIS 126 H HIS 126 18.319 8.654 6.152 1045 HA HIS 126 HA HIS 126 19.035 10.488 5.026 1046 1HB HIS 126 2HB HIS 126 21.257 10.017 5.815 1047 2HB HIS 126 1HB HIS 126 21.495 8.796 4.572 1048 HD1 HIS 126 1HD HIS 126 22.505 9.560 2.405 1049 HD2 HIS 126 2HD HIS 126 21.138 12.718 4.746 1050 HE1 HIS 126 1HE HIS 126 23.296 11.651 1.257 1051 HE2 HIS 126 2HE HIS 126 22.532 13.549 2.731 1052 H HIS 127 H HIS 127 19.762 7.545 3.202 1053 HA HIS 127 HA HIS 127 19.850 8.551 0.637 1054 1HB HIS 127 2HB HIS 127 20.433 6.230 1.329 1055 2HB HIS 127 1HB HIS 127 18.718 5.876 1.484 1056 HD1 HIS 127 1HD HIS 127 21.465 6.042 -0.955 1057 HD2 HIS 127 2HD HIS 127 17.308 5.818 -1.040 1058 HE1 HIS 127 1HE HIS 127 20.862 5.383 -3.308 1059 HE2 HIS 127 2HE HIS 127 18.347 5.297 -3.357 1060 H HIS 128 H HIS 128 18.399 9.869 -0.230 1061 HA HIS 128 HA HIS 128 15.632 8.887 -0.367 1062 1HB HIS 128 2HB HIS 128 14.784 11.196 -0.291 1063 2HB HIS 128 1HB HIS 128 15.647 10.783 1.183 1064 HD1 HIS 128 1HD HIS 128 18.007 11.920 1.518 1065 HD2 HIS 128 2HD HIS 128 15.790 13.333 -1.707 1066 HE1 HIS 128 1HE HIS 128 19.068 14.113 0.872 1067 HE2 HIS 128 2HE HIS 128 17.603 15.031 -0.968 1068 H HIS 129 H HIS 129 18.349 10.399 -1.872 1069 HA HIS 129 HA HIS 129 17.548 9.546 -4.451 1070 1HB HIS 129 2HB HIS 129 16.363 11.918 -3.801 1071 2HB HIS 129 1HB HIS 129 17.863 12.481 -4.528 1072 HD1 HIS 129 1HD HIS 129 15.317 13.137 -5.988 1073 HD2 HIS 129 2HD HIS 129 17.434 9.610 -6.622 1074 HE1 HIS 129 1HE HIS 129 14.617 12.320 -8.264 1075 HE2 HIS 129 2HE HIS 129 15.757 10.085 -8.531 Start of MODEL 17 1 1H MET 1 1HT MET 1 14.396 -7.839 2.590 2 2H MET 1 2HT MET 1 14.454 -6.974 1.138 3 3H MET 1 3HT MET 1 14.890 -6.215 2.586 4 HA MET 1 HA MET 1 16.325 -8.471 1.314 5 1HB MET 1 2HB MET 1 16.681 -6.440 0.056 6 2HB MET 1 1HB MET 1 16.985 -5.528 1.529 7 1HG MET 1 2HG MET 1 18.990 -6.943 1.922 8 2HG MET 1 1HG MET 1 18.714 -7.692 0.351 9 1HE MET 1 1HE MET 1 21.429 -6.277 1.311 10 2HE MET 1 2HE MET 1 21.885 -5.374 -0.135 11 3HE MET 1 3HE MET 1 21.273 -7.022 -0.279 12 H SER 2 H SER 2 17.094 -5.792 3.552 13 HA SER 2 HA SER 2 18.853 -7.524 5.035 14 1HB SER 2 2HB SER 2 18.029 -4.687 5.678 15 2HB SER 2 1HB SER 2 19.470 -5.533 6.242 16 HG SER 2 HG SER 2 20.394 -5.322 4.309 17 H ILE 3 H ILE 3 15.788 -5.866 5.597 18 HA ILE 3 HA ILE 3 15.479 -7.398 8.097 19 HB ILE 3 HB ILE 3 13.986 -5.625 8.912 20 1HG1 ILE 3 2HG1 ILE 3 14.795 -4.222 6.363 21 2HG1 ILE 3 1HG1 ILE 3 13.182 -4.780 6.781 22 1HG2 ILE 3 1HG2 ILE 3 15.707 -3.925 9.336 23 2HG2 ILE 3 2HG2 ILE 3 16.708 -4.636 8.068 24 3HG2 ILE 3 3HG2 ILE 3 16.335 -5.562 9.522 25 1HD1 ILE 3 1HD1 ILE 3 14.718 -2.614 8.199 26 2HD1 ILE 3 2HD1 ILE 3 13.089 -3.166 8.596 27 3HD1 ILE 3 3HD1 ILE 3 13.400 -2.377 7.051 28 H SER 4 H SER 4 13.074 -7.572 8.675 29 HA SER 4 HA SER 4 11.559 -8.242 6.244 30 1HB SER 4 2HB SER 4 11.482 -9.810 8.833 31 2HB SER 4 1HB SER 4 10.717 -10.239 7.302 32 HG SER 4 HG SER 4 13.042 -10.139 6.501 33 H THR 5 H THR 5 10.676 -6.073 6.566 34 HA THR 5 HA THR 5 8.819 -5.782 8.779 35 HB THR 5 HB THR 5 8.217 -3.623 7.654 36 HG1 THR 5 1HG THR 5 10.239 -3.270 6.046 37 1HG2 THR 5 1HG2 THR 5 10.296 -2.482 8.195 38 2HG2 THR 5 2HG2 THR 5 11.167 -4.015 8.154 39 3HG2 THR 5 3HG2 THR 5 9.947 -3.727 9.395 40 H SER 6 H SER 6 6.509 -5.084 8.143 41 HA SER 6 HA SER 6 5.249 -7.165 6.782 42 1HB SER 6 2HB SER 6 3.266 -5.516 6.750 43 2HB SER 6 1HB SER 6 3.930 -5.967 8.322 44 HG SER 6 HG SER 6 3.539 -3.657 7.949 45 H ALA 7 H ALA 7 6.301 -3.996 5.662 46 HA ALA 7 HA ALA 7 5.192 -4.105 3.083 47 1HB ALA 7 1HB ALA 7 6.109 -2.056 4.098 48 2HB ALA 7 2HB ALA 7 6.790 -2.372 2.503 49 3HB ALA 7 3HB ALA 7 7.734 -2.725 3.951 50 H GLU 8 H GLU 8 8.490 -4.932 4.197 51 HA GLU 8 HA GLU 8 9.476 -5.895 1.779 52 1HB GLU 8 2HB GLU 8 10.118 -6.744 4.608 53 2HB GLU 8 1HB GLU 8 11.041 -7.258 3.206 54 1HG GLU 8 2HG GLU 8 10.662 -4.387 4.001 55 2HG GLU 8 1HG GLU 8 12.032 -5.378 4.497 56 H VAL 9 H VAL 9 7.865 -7.670 4.393 57 HA VAL 9 HA VAL 9 8.097 -10.230 3.294 58 HB VAL 9 HB VAL 9 6.037 -9.111 5.197 59 1HG1 VAL 9 1HG1 VAL 9 5.085 -11.067 4.125 60 2HG1 VAL 9 2HG1 VAL 9 5.551 -11.462 5.780 61 3HG1 VAL 9 3HG1 VAL 9 6.561 -11.982 4.431 62 1HG2 VAL 9 1HG2 VAL 9 7.362 -10.277 6.890 63 2HG2 VAL 9 2HG2 VAL 9 8.333 -9.087 6.023 64 3HG2 VAL 9 3HG2 VAL 9 8.494 -10.800 5.641 65 H TYR 10 H TYR 10 5.326 -7.972 3.113 66 HA TYR 10 HA TYR 10 3.835 -9.776 1.479 67 1HB TYR 10 2HB TYR 10 3.406 -6.941 2.366 68 2HB TYR 10 1HB TYR 10 2.342 -7.685 1.175 69 HD1 TYR 10 2HD TYR 10 1.177 -9.851 1.805 70 HD2 TYR 10 1HD TYR 10 3.103 -7.363 4.665 71 HE1 TYR 10 2HE TYR 10 -0.085 -10.953 3.601 72 HE2 TYR 10 1HE TYR 10 1.849 -8.462 6.471 73 HH TYR 10 HH TYR 10 0.173 -11.355 6.053 74 H TYR 11 H TYR 11 6.078 -7.187 0.827 75 HA TYR 11 HA TYR 11 5.416 -6.908 -1.922 76 1HB TYR 11 2HB TYR 11 6.723 -5.185 -0.862 77 2HB TYR 11 1HB TYR 11 7.975 -6.337 -0.415 78 HD1 TYR 11 2HD TYR 11 6.234 -5.131 -3.510 79 HD2 TYR 11 1HD TYR 11 9.878 -6.352 -1.686 80 HE1 TYR 11 2HE TYR 11 7.431 -4.674 -5.611 81 HE2 TYR 11 1HE TYR 11 11.083 -5.896 -3.776 82 HH TYR 11 HH TYR 11 10.536 -5.802 -6.209 83 H GLU 12 H GLU 12 7.733 -8.921 -0.161 84 HA GLU 12 HA GLU 12 8.900 -10.198 -2.375 85 1HB GLU 12 2HB GLU 12 9.844 -10.320 -0.115 86 2HB GLU 12 1HB GLU 12 8.452 -11.240 0.434 87 1HG GLU 12 2HG GLU 12 9.059 -13.040 -1.139 88 2HG GLU 12 1HG GLU 12 10.497 -12.126 -1.588 89 H GLU 13 H GLU 13 6.064 -11.077 -0.414 90 HA GLU 13 HA GLU 13 5.519 -13.500 -1.776 91 1HB GLU 13 2HB GLU 13 3.600 -11.669 -0.325 92 2HB GLU 13 1HB GLU 13 3.270 -13.328 -0.799 93 1HG GLU 13 2HG GLU 13 5.138 -14.055 0.669 94 2HG GLU 13 1HG GLU 13 5.294 -12.385 1.216 95 H ALA 14 H ALA 14 4.478 -10.165 -2.327 96 HA ALA 14 HA ALA 14 2.720 -10.664 -4.459 97 1HB ALA 14 1HB ALA 14 2.897 -8.497 -3.322 98 2HB ALA 14 2HB ALA 14 3.065 -8.332 -5.069 99 3HB ALA 14 3HB ALA 14 4.492 -8.258 -4.031 100 H GLU 15 H GLU 15 6.214 -10.102 -4.369 101 HA GLU 15 HA GLU 15 6.666 -10.313 -7.146 102 1HB GLU 15 2HB GLU 15 8.482 -10.865 -4.799 103 2HB GLU 15 1HB GLU 15 9.026 -10.847 -6.466 104 1HG GLU 15 2HG GLU 15 8.194 -8.490 -6.612 105 2HG GLU 15 1HG GLU 15 7.929 -8.555 -4.870 106 H GLU 16 H GLU 16 6.502 -12.704 -4.560 107 HA GLU 16 HA GLU 16 7.441 -14.905 -5.970 108 1HB GLU 16 2HB GLU 16 5.775 -14.506 -3.552 109 2HB GLU 16 1HB GLU 16 5.892 -16.113 -4.227 110 1HG GLU 16 2HG GLU 16 8.157 -14.392 -3.269 111 2HG GLU 16 1HG GLU 16 7.533 -15.848 -2.495 112 H PHE 17 H PHE 17 4.153 -13.685 -5.570 113 HA PHE 17 HA PHE 17 3.032 -15.753 -7.204 114 1HB PHE 17 2HB PHE 17 1.904 -13.214 -6.057 115 2HB PHE 17 1HB PHE 17 0.975 -14.213 -7.176 116 HD1 PHE 17 1HD PHE 17 1.184 -16.840 -6.542 117 HD2 PHE 17 2HD PHE 17 1.449 -13.570 -3.836 118 HE1 PHE 17 1HE PHE 17 0.518 -18.323 -4.695 119 HE2 PHE 17 2HE PHE 17 0.782 -15.045 -1.984 120 HZ PHE 17 HZ PHE 17 0.320 -17.424 -2.411 121 H LEU 18 H LEU 18 4.247 -12.530 -7.807 122 HA LEU 18 HA LEU 18 3.363 -12.340 -10.493 123 1HB LEU 18 2HB LEU 18 4.296 -10.441 -9.183 124 2HB LEU 18 1HB LEU 18 5.875 -11.198 -9.255 125 HG LEU 18 HG LEU 18 5.838 -10.976 -11.725 126 1HD1 LEU 18 1HD1 LEU 18 3.436 -10.957 -12.079 127 2HD1 LEU 18 2HD1 LEU 18 4.169 -9.498 -12.750 128 3HD1 LEU 18 3HD1 LEU 18 3.303 -9.424 -11.215 129 1HD2 LEU 18 1HD2 LEU 18 5.441 -8.419 -10.175 130 2HD2 LEU 18 2HD2 LEU 18 6.199 -8.549 -11.763 131 3HD2 LEU 18 3HD2 LEU 18 6.955 -9.303 -10.359 132 H SER 19 H SER 19 6.124 -13.825 -8.925 133 HA SER 19 HA SER 19 7.441 -14.683 -11.302 134 1HB SER 19 2HB SER 19 8.573 -14.436 -9.098 135 2HB SER 19 1HB SER 19 7.634 -15.793 -8.484 136 HG SER 19 HG SER 19 8.638 -16.878 -10.476 137 H LYS 20 H LYS 20 4.797 -15.851 -9.416 138 HA LYS 20 HA LYS 20 4.781 -18.521 -10.447 139 1HB LYS 20 2HB LYS 20 3.666 -18.111 -8.351 140 2HB LYS 20 1HB LYS 20 2.670 -16.850 -9.063 141 1HG LYS 20 2HG LYS 20 1.520 -18.505 -10.423 142 2HG LYS 20 1HG LYS 20 2.536 -19.779 -9.750 143 1HD LYS 20 2HD LYS 20 1.627 -19.386 -7.540 144 2HD LYS 20 1HD LYS 20 0.684 -18.018 -8.143 145 1HE LYS 20 2HE LYS 20 -0.637 -19.468 -9.525 146 2HE LYS 20 1HE LYS 20 0.383 -20.850 -9.127 147 1HZ LYS 20 1HZ LYS 20 -1.311 -19.351 -7.199 148 2HZ LYS 20 2HZ LYS 20 -0.348 -20.701 -6.839 149 3HZ LYS 20 3HZ LYS 20 -1.682 -20.860 -7.873 150 H GLY 21 H GLY 21 3.218 -15.479 -11.282 151 1HA GLY 21 2HA GLY 21 2.733 -14.953 -13.573 152 2HA GLY 21 1HA GLY 21 2.482 -16.668 -13.872 153 H ASP 22 H ASP 22 1.169 -15.274 -10.995 154 HA ASP 22 HA ASP 22 -1.498 -15.336 -12.232 155 1HB ASP 22 2HB ASP 22 -1.171 -17.104 -10.518 156 2HB ASP 22 1HB ASP 22 -0.835 -15.851 -9.324 157 H LEU 23 H LEU 23 -2.904 -13.692 -11.794 158 HA LEU 23 HA LEU 23 -1.643 -11.235 -10.842 159 1HB LEU 23 2HB LEU 23 -4.311 -11.577 -12.210 160 2HB LEU 23 1HB LEU 23 -3.453 -10.072 -11.941 161 HG LEU 23 HG LEU 23 -2.568 -12.305 -13.770 162 1HD1 LEU 23 1HD1 LEU 23 -4.485 -11.088 -14.636 163 2HD1 LEU 23 2HD1 LEU 23 -3.033 -10.701 -15.558 164 3HD1 LEU 23 3HD1 LEU 23 -3.652 -9.556 -14.369 165 1HD2 LEU 23 1HD2 LEU 23 -1.336 -9.607 -13.227 166 2HD2 LEU 23 2HD2 LEU 23 -0.829 -10.727 -14.490 167 3HD2 LEU 23 3HD2 LEU 23 -0.656 -11.176 -12.794 168 H VAL 24 H VAL 24 -4.367 -13.353 -10.191 169 HA VAL 24 HA VAL 24 -5.872 -11.619 -8.584 170 HB VAL 24 HB VAL 24 -5.782 -14.639 -8.546 171 1HG1 VAL 24 1HG1 VAL 24 -8.008 -14.500 -7.540 172 2HG1 VAL 24 2HG1 VAL 24 -7.867 -12.744 -7.468 173 3HG1 VAL 24 3HG1 VAL 24 -6.787 -13.758 -6.509 174 1HG2 VAL 24 1HG2 VAL 24 -7.587 -12.716 -10.013 175 2HG2 VAL 24 2HG2 VAL 24 -7.769 -14.469 -9.983 176 3HG2 VAL 24 3HG2 VAL 24 -6.348 -13.745 -10.735 177 H GLN 25 H GLN 25 -3.620 -14.212 -7.621 178 HA GLN 25 HA GLN 25 -3.901 -13.705 -4.839 179 1HB GLN 25 2HB GLN 25 -1.719 -15.143 -6.359 180 2HB GLN 25 1HB GLN 25 -1.906 -15.168 -4.606 181 1HG GLN 25 2HG GLN 25 -4.080 -16.226 -4.843 182 2HG GLN 25 1HG GLN 25 -3.929 -16.167 -6.597 183 1HE2 GLN 25 1HE2 GLN 25 -2.852 -17.681 -3.669 184 2HE2 GLN 25 2HE2 GLN 25 -2.071 -19.039 -4.424 185 H ALA 26 H ALA 26 -1.916 -12.336 -7.322 186 HA ALA 26 HA ALA 26 0.062 -11.226 -5.582 187 1HB ALA 26 1HB ALA 26 -0.635 -10.495 -8.423 188 2HB ALA 26 2HB ALA 26 0.558 -11.696 -7.925 189 3HB ALA 26 3HB ALA 26 0.810 -9.991 -7.548 190 H CYS 27 H CYS 27 -2.875 -9.973 -7.147 191 HA CYS 27 HA CYS 27 -2.531 -7.271 -6.575 192 1HB CYS 27 2HB CYS 27 -5.070 -8.874 -6.883 193 2HB CYS 27 1HB CYS 27 -5.028 -7.117 -6.795 194 HG CYS 27 HG CYS 27 -5.334 -7.551 -9.443 195 H GLU 28 H GLU 28 -4.029 -9.779 -4.555 196 HA GLU 28 HA GLU 28 -4.995 -8.052 -2.550 197 1HB GLU 28 2HB GLU 28 -5.739 -10.367 -2.704 198 2HB GLU 28 1HB GLU 28 -4.114 -10.940 -2.370 199 1HG GLU 28 2HG GLU 28 -5.436 -11.190 -0.399 200 2HG GLU 28 1HG GLU 28 -4.256 -9.913 -0.124 201 H LYS 29 H LYS 29 -1.844 -9.572 -3.036 202 HA LYS 29 HA LYS 29 -0.888 -8.630 -0.479 203 1HB LYS 29 2HB LYS 29 0.465 -10.118 -2.722 204 2HB LYS 29 1HB LYS 29 1.292 -9.629 -1.245 205 1HG LYS 29 2HG LYS 29 -0.334 -10.924 0.069 206 2HG LYS 29 1HG LYS 29 -1.101 -11.449 -1.429 207 1HD LYS 29 2HD LYS 29 0.907 -12.591 -2.110 208 2HD LYS 29 1HD LYS 29 1.777 -11.966 -0.706 209 1HE LYS 29 2HE LYS 29 -0.602 -13.821 -0.631 210 2HE LYS 29 1HE LYS 29 1.076 -14.294 -0.382 211 1HZ LYS 29 1HZ LYS 29 -0.010 -14.038 1.725 212 2HZ LYS 29 2HZ LYS 29 -0.517 -12.468 1.338 213 3HZ LYS 29 3HZ LYS 29 1.137 -12.797 1.556 214 H TYR 30 H TYR 30 -0.688 -7.605 -3.837 215 HA TYR 30 HA TYR 30 1.187 -5.522 -3.441 216 1HB TYR 30 2HB TYR 30 -1.086 -5.886 -5.382 217 2HB TYR 30 1HB TYR 30 -0.190 -4.375 -5.324 218 HD1 TYR 30 1HD TYR 30 2.539 -4.976 -5.146 219 HD2 TYR 30 2HD TYR 30 -0.472 -7.205 -7.159 220 HE1 TYR 30 1HE TYR 30 4.245 -5.910 -6.651 221 HE2 TYR 30 2HE TYR 30 1.225 -8.144 -8.671 222 HH TYR 30 HH TYR 30 4.515 -7.966 -8.080 223 H TYR 31 H TYR 31 -2.306 -5.730 -3.041 224 HA TYR 31 HA TYR 31 -2.774 -3.109 -2.166 225 1HB TYR 31 2HB TYR 31 -4.638 -4.494 -2.769 226 2HB TYR 31 1HB TYR 31 -4.192 -5.717 -1.585 227 HD1 TYR 31 1HD TYR 31 -5.406 -2.201 -1.883 228 HD2 TYR 31 2HD TYR 31 -5.082 -5.667 0.562 229 HE1 TYR 31 1HE TYR 31 -6.897 -1.164 -0.221 230 HE2 TYR 31 2HE TYR 31 -6.569 -4.644 2.224 231 HH TYR 31 HH TYR 31 -7.195 -2.313 2.918 232 H LYS 32 H LYS 32 -1.908 -6.050 -0.366 233 HA LYS 32 HA LYS 32 -2.040 -4.938 2.203 234 1HB LYS 32 2HB LYS 32 -0.989 -7.385 1.000 235 2HB LYS 32 1HB LYS 32 -0.085 -6.863 2.417 236 1HG LYS 32 2HG LYS 32 -1.952 -8.452 2.883 237 2HG LYS 32 1HG LYS 32 -2.028 -6.936 3.785 238 1HD LYS 32 2HD LYS 32 -3.622 -6.059 2.118 239 2HD LYS 32 1HD LYS 32 -3.587 -7.616 1.293 240 1HE LYS 32 2HE LYS 32 -4.526 -8.711 3.225 241 2HE LYS 32 1HE LYS 32 -4.434 -7.216 4.157 242 1HZ LYS 32 1HZ LYS 32 -6.051 -7.543 1.688 243 2HZ LYS 32 2HZ LYS 32 -6.051 -6.216 2.748 244 3HZ LYS 32 3HZ LYS 32 -6.675 -7.705 3.261 245 H ALA 33 H ALA 33 0.714 -5.239 -0.018 246 HA ALA 33 HA ALA 33 2.662 -4.154 1.678 247 1HB ALA 33 1HB ALA 33 3.951 -3.714 -0.345 248 2HB ALA 33 2HB ALA 33 2.514 -3.974 -1.332 249 3HB ALA 33 3HB ALA 33 3.207 -5.310 -0.411 250 H ALA 34 H ALA 34 0.347 -2.637 -0.485 251 HA ALA 34 HA ALA 34 1.349 0.026 -0.110 252 1HB ALA 34 1HB ALA 34 -1.318 -0.894 -1.171 253 2HB ALA 34 2HB ALA 34 0.132 -0.614 -2.133 254 3HB ALA 34 3HB ALA 34 -0.651 0.733 -1.306 255 H GLU 35 H GLU 35 -1.318 -1.879 1.210 256 HA GLU 35 HA GLU 35 -2.627 0.095 2.661 257 1HB GLU 35 2HB GLU 35 -3.606 -2.070 2.176 258 2HB GLU 35 1HB GLU 35 -2.371 -2.885 3.120 259 1HG GLU 35 2HG GLU 35 -3.260 -2.046 5.147 260 2HG GLU 35 1HG GLU 35 -4.343 -0.956 4.285 261 H GLU 36 H GLU 36 -0.119 -2.207 3.748 262 HA GLU 36 HA GLU 36 0.152 -1.183 6.355 263 1HB GLU 36 2HB GLU 36 1.942 -2.785 4.562 264 2HB GLU 36 1HB GLU 36 2.550 -2.183 6.096 265 1HG GLU 36 2HG GLU 36 0.085 -3.883 5.826 266 2HG GLU 36 1HG GLU 36 1.697 -4.522 6.141 267 H ALA 37 H ALA 37 1.770 -0.326 3.324 268 HA ALA 37 HA ALA 37 3.688 1.410 4.412 269 1HB ALA 37 1HB ALA 37 3.763 0.572 2.099 270 2HB ALA 37 2HB ALA 37 3.909 2.328 2.174 271 3HB ALA 37 3HB ALA 37 2.380 1.590 1.696 272 H ILE 38 H ILE 38 0.414 2.103 3.167 273 HA ILE 38 HA ILE 38 0.423 4.855 3.671 274 HB ILE 38 HB ILE 38 -1.892 2.910 3.736 275 1HG1 ILE 38 2HG1 ILE 38 -0.761 3.025 1.576 276 2HG1 ILE 38 1HG1 ILE 38 -2.344 3.781 1.470 277 1HG2 ILE 38 1HG2 ILE 38 -1.951 5.922 3.641 278 2HG2 ILE 38 2HG2 ILE 38 -2.464 4.910 4.991 279 3HG2 ILE 38 3HG2 ILE 38 -3.352 4.863 3.466 280 1HD1 ILE 38 1HD1 ILE 38 -1.313 5.981 1.610 281 2HD1 ILE 38 2HD1 ILE 38 -0.654 5.050 0.265 282 3HD1 ILE 38 3HD1 ILE 38 0.277 5.231 1.752 283 H LYS 39 H LYS 39 -0.705 2.176 5.697 284 HA LYS 39 HA LYS 39 -1.409 3.441 8.023 285 1HB LYS 39 2HB LYS 39 -1.741 1.153 8.002 286 2HB LYS 39 1HB LYS 39 -0.143 0.817 7.360 287 1HG LYS 39 2HG LYS 39 0.766 1.474 9.621 288 2HG LYS 39 1HG LYS 39 -0.908 1.458 10.193 289 1HD LYS 39 2HD LYS 39 -1.163 -0.841 9.673 290 2HD LYS 39 1HD LYS 39 0.341 -0.872 8.754 291 1HE LYS 39 2HE LYS 39 1.537 -0.351 10.895 292 2HE LYS 39 1HE LYS 39 0.006 -0.607 11.731 293 1HZ LYS 39 1HZ LYS 39 1.419 -2.623 10.055 294 2HZ LYS 39 2HZ LYS 39 -0.054 -2.865 10.860 295 3HZ LYS 39 3HZ LYS 39 1.361 -2.605 11.754 296 H LEU 40 H LEU 40 1.890 2.267 7.267 297 HA LEU 40 HA LEU 40 3.192 3.389 9.441 298 1HB LEU 40 2HB LEU 40 3.969 2.407 6.761 299 2HB LEU 40 1HB LEU 40 5.137 3.410 7.583 300 HG LEU 40 HG LEU 40 4.939 1.833 9.533 301 1HD1 LEU 40 1HD1 LEU 40 3.507 0.134 7.514 302 2HD1 LEU 40 2HD1 LEU 40 2.830 0.795 9.002 303 3HD1 LEU 40 3HD1 LEU 40 4.105 -0.420 9.079 304 1HD2 LEU 40 1HD2 LEU 40 5.954 0.701 6.939 305 2HD2 LEU 40 2HD2 LEU 40 6.427 0.171 8.553 306 3HD2 LEU 40 3HD2 LEU 40 6.835 1.796 8.003 307 H LEU 41 H LEU 41 2.706 4.770 6.194 308 HA LEU 41 HA LEU 41 4.260 7.071 6.648 309 1HB LEU 41 2HB LEU 41 2.044 6.556 4.672 310 2HB LEU 41 1HB LEU 41 3.048 7.993 4.657 311 HG LEU 41 HG LEU 41 4.048 5.166 4.295 312 1HD1 LEU 41 1HD1 LEU 41 3.707 7.398 2.299 313 2HD1 LEU 41 2HD1 LEU 41 2.748 5.920 2.384 314 3HD1 LEU 41 3HD1 LEU 41 4.463 5.835 1.986 315 1HD2 LEU 41 1HD2 LEU 41 5.490 7.806 4.083 316 2HD2 LEU 41 2HD2 LEU 41 6.168 6.221 3.708 317 3HD2 LEU 41 3HD2 LEU 41 5.698 6.610 5.363 318 H VAL 42 H VAL 42 0.815 6.450 7.137 319 HA VAL 42 HA VAL 42 -0.048 9.054 7.644 320 HB VAL 42 HB VAL 42 -0.972 6.439 8.847 321 1HG1 VAL 42 1HG1 VAL 42 -2.335 9.124 9.004 322 2HG1 VAL 42 2HG1 VAL 42 -1.566 8.285 10.352 323 3HG1 VAL 42 3HG1 VAL 42 -2.988 7.589 9.574 324 1HG2 VAL 42 1HG2 VAL 42 -2.835 6.686 7.285 325 2HG2 VAL 42 2HG2 VAL 42 -1.287 6.642 6.444 326 3HG2 VAL 42 3HG2 VAL 42 -2.123 8.178 6.672 327 H ILE 43 H ILE 43 1.348 6.671 9.858 328 HA ILE 43 HA ILE 43 1.162 8.384 12.137 329 HB ILE 43 HB ILE 43 2.805 5.866 11.796 330 1HG1 ILE 43 2HG1 ILE 43 0.028 6.203 12.955 331 2HG1 ILE 43 1HG1 ILE 43 0.371 5.554 11.355 332 1HG2 ILE 43 1HG2 ILE 43 2.741 5.740 14.232 333 2HG2 ILE 43 2HG2 ILE 43 1.840 7.254 14.295 334 3HG2 ILE 43 3HG2 ILE 43 3.500 7.241 13.700 335 1HD1 ILE 43 1HD1 ILE 43 1.592 3.703 12.381 336 2HD1 ILE 43 2HD1 ILE 43 -0.081 3.778 12.935 337 3HD1 ILE 43 3HD1 ILE 43 1.221 4.351 13.979 338 H GLU 44 H GLU 44 3.770 7.544 9.873 339 HA GLU 44 HA GLU 44 5.802 8.777 11.415 340 1HB GLU 44 2HB GLU 44 7.261 8.466 9.570 341 2HB GLU 44 1HB GLU 44 6.247 7.043 9.730 342 1HG GLU 44 2HG GLU 44 5.999 7.266 7.556 343 2HG GLU 44 1HG GLU 44 4.808 8.487 7.968 344 H ASN 45 H ASN 45 3.467 9.996 9.212 345 HA ASN 45 HA ASN 45 4.728 12.527 8.788 346 1HB ASN 45 2HB ASN 45 2.012 11.401 8.268 347 2HB ASN 45 1HB ASN 45 2.172 13.152 8.341 348 1HD2 ASN 45 1HD2 ASN 45 3.108 10.257 6.636 349 2HD2 ASN 45 2HD2 ASN 45 3.659 11.053 5.205 350 H ASN 46 H ASN 46 1.594 12.119 10.362 351 HA ASN 46 HA ASN 46 2.166 12.874 12.931 352 1HB ASN 46 2HB ASN 46 3.053 14.962 11.734 353 2HB ASN 46 1HB ASN 46 1.371 15.344 11.389 354 1HD2 ASN 46 1HD2 ASN 46 3.746 14.922 13.934 355 2HD2 ASN 46 2HD2 ASN 46 2.890 15.828 15.131 356 H LEU 47 H LEU 47 0.145 11.594 10.972 357 HA LEU 47 HA LEU 47 -2.276 13.086 11.536 358 1HB LEU 47 2HB LEU 47 -1.784 10.611 9.892 359 2HB LEU 47 1HB LEU 47 -3.337 11.399 10.052 360 HG LEU 47 HG LEU 47 -0.873 12.631 8.823 361 1HD1 LEU 47 1HD1 LEU 47 -2.116 12.426 6.717 362 2HD1 LEU 47 2HD1 LEU 47 -3.396 11.559 7.565 363 3HD1 LEU 47 3HD1 LEU 47 -1.785 10.853 7.441 364 1HD2 LEU 47 1HD2 LEU 47 -2.278 14.311 9.857 365 2HD2 LEU 47 2HD2 LEU 47 -3.703 13.647 9.060 366 3HD2 LEU 47 3HD2 LEU 47 -2.428 14.400 8.101 367 H LYS 48 H LYS 48 -1.593 12.411 13.896 368 HA LYS 48 HA LYS 48 -2.121 9.857 14.871 369 1HB LYS 48 2HB LYS 48 -2.660 12.434 16.327 370 2HB LYS 48 1HB LYS 48 -2.232 10.884 17.007 371 1HG LYS 48 2HG LYS 48 0.001 11.067 16.019 372 2HG LYS 48 1HG LYS 48 -0.439 12.652 15.381 373 1HD LYS 48 2HD LYS 48 -0.452 11.916 18.308 374 2HD LYS 48 1HD LYS 48 0.867 12.754 17.493 375 1HE LYS 48 2HE LYS 48 -0.418 14.424 18.570 376 2HE LYS 48 1HE LYS 48 -0.803 14.531 16.858 377 1HZ LYS 48 1HZ LYS 48 -2.505 12.953 18.687 378 2HZ LYS 48 2HZ LYS 48 -2.910 13.649 17.194 379 3HZ LYS 48 3HZ LYS 48 -2.703 14.630 18.557 380 H GLU 49 H GLU 49 -4.198 12.403 13.858 381 HA GLU 49 HA GLU 49 -6.510 11.730 15.311 382 1HB GLU 49 2HB GLU 49 -6.556 13.017 12.606 383 2HB GLU 49 1HB GLU 49 -7.621 13.295 13.970 384 1HG GLU 49 2HG GLU 49 -4.779 14.207 13.644 385 2HG GLU 49 1HG GLU 49 -6.231 15.199 13.747 386 H ILE 50 H ILE 50 -5.004 10.412 12.527 387 HA ILE 50 HA ILE 50 -7.364 8.872 11.754 388 HB ILE 50 HB ILE 50 -4.558 8.925 10.604 389 1HG1 ILE 50 2HG1 ILE 50 -5.767 11.034 10.271 390 2HG1 ILE 50 1HG1 ILE 50 -5.561 10.181 8.747 391 1HG2 ILE 50 1HG2 ILE 50 -5.496 7.706 8.699 392 2HG2 ILE 50 2HG2 ILE 50 -7.041 7.594 9.543 393 3HG2 ILE 50 3HG2 ILE 50 -5.619 6.781 10.196 394 1HD1 ILE 50 1HD1 ILE 50 -7.874 9.385 8.895 395 2HD1 ILE 50 2HD1 ILE 50 -7.772 11.145 8.894 396 3HD1 ILE 50 3HD1 ILE 50 -8.074 10.281 10.401 397 H THR 51 H THR 51 -4.364 8.628 13.465 398 HA THR 51 HA THR 51 -4.140 5.814 13.582 399 HB THR 51 HB THR 51 -3.110 7.723 15.658 400 HG1 THR 51 1HG THR 51 -2.003 7.113 13.096 401 1HG2 THR 51 1HG2 THR 51 -2.017 5.140 14.543 402 2HG2 THR 51 2HG2 THR 51 -2.817 5.330 16.104 403 3HG2 THR 51 3HG2 THR 51 -1.269 6.120 15.805 404 H ASN 52 H ASN 52 -5.342 8.188 15.987 405 HA ASN 52 HA ASN 52 -6.166 6.175 17.823 406 1HB ASN 52 2HB ASN 52 -7.056 7.898 19.169 407 2HB ASN 52 1HB ASN 52 -5.672 8.630 18.369 408 1HD2 ASN 52 1HD2 ASN 52 -5.999 10.245 16.871 409 2HD2 ASN 52 2HD2 ASN 52 -7.524 11.039 16.684 410 H ASN 53 H ASN 53 -7.541 7.490 15.006 411 HA ASN 53 HA ASN 53 -10.272 6.974 15.389 412 1HB ASN 53 2HB ASN 53 -9.287 8.236 13.475 413 2HB ASN 53 1HB ASN 53 -8.670 6.719 12.830 414 1HD2 ASN 53 1HD2 ASN 53 -11.402 8.747 13.264 415 2HD2 ASN 53 2HD2 ASN 53 -12.502 7.823 12.296 416 H VAL 54 H VAL 54 -7.561 4.920 14.615 417 HA VAL 54 HA VAL 54 -9.344 2.585 14.367 418 HB VAL 54 HB VAL 54 -6.431 2.658 13.588 419 1HG1 VAL 54 1HG1 VAL 54 -8.687 0.913 12.609 420 2HG1 VAL 54 2HG1 VAL 54 -7.542 0.461 13.869 421 3HG1 VAL 54 3HG1 VAL 54 -6.972 0.746 12.227 422 1HG2 VAL 54 1HG2 VAL 54 -7.122 3.093 11.276 423 2HG2 VAL 54 2HG2 VAL 54 -7.549 4.431 12.342 424 3HG2 VAL 54 3HG2 VAL 54 -8.789 3.293 11.816 425 H LYS 55 H LYS 55 -8.074 4.070 16.772 426 HA LYS 55 HA LYS 55 -6.215 2.386 18.028 427 1HB LYS 55 2HB LYS 55 -6.915 4.754 18.687 428 2HB LYS 55 1HB LYS 55 -8.310 4.028 19.464 429 1HG LYS 55 2HG LYS 55 -5.501 3.234 20.165 430 2HG LYS 55 1HG LYS 55 -6.314 4.599 20.925 431 1HD LYS 55 2HD LYS 55 -8.082 3.116 21.721 432 2HD LYS 55 1HD LYS 55 -7.301 1.748 20.924 433 1HE LYS 55 2HE LYS 55 -5.309 2.111 22.338 434 2HE LYS 55 1HE LYS 55 -6.169 3.403 23.174 435 1HZ LYS 55 1HZ LYS 55 -6.319 1.397 24.441 436 2HZ LYS 55 2HZ LYS 55 -6.908 0.525 23.116 437 3HZ LYS 55 3HZ LYS 55 -7.858 1.743 23.820 438 H ASN 56 H ASN 56 -9.698 2.274 17.811 439 HA ASN 56 HA ASN 56 -10.119 0.362 19.879 440 1HB ASN 56 2HB ASN 56 -11.881 1.888 19.056 441 2HB ASN 56 1HB ASN 56 -11.872 1.053 17.513 442 1HD2 ASN 56 1HD2 ASN 56 -12.802 0.883 20.861 443 2HD2 ASN 56 2HD2 ASN 56 -13.822 -0.509 20.711 444 H LYS 57 H LYS 57 -9.501 0.174 16.449 445 HA LYS 57 HA LYS 57 -9.997 -2.685 16.388 446 1HB LYS 57 2HB LYS 57 -9.556 -0.557 14.318 447 2HB LYS 57 1HB LYS 57 -9.458 -2.254 13.912 448 1HG LYS 57 2HG LYS 57 -11.848 -0.898 15.123 449 2HG LYS 57 1HG LYS 57 -11.657 -1.303 13.416 450 1HD LYS 57 2HD LYS 57 -11.473 -3.686 14.029 451 2HD LYS 57 1HD LYS 57 -11.734 -3.250 15.718 452 1HE LYS 57 2HE LYS 57 -13.934 -2.367 15.166 453 2HE LYS 57 1HE LYS 57 -13.673 -2.745 13.463 454 1HZ LYS 57 1HZ LYS 57 -13.508 -5.092 14.065 455 2HZ LYS 57 2HZ LYS 57 -15.009 -4.439 14.508 456 3HZ LYS 57 3HZ LYS 57 -13.822 -4.708 15.688 457 H GLY 58 H GLY 58 -8.406 -4.014 15.121 458 1HA GLY 58 2HA GLY 58 -5.678 -3.338 15.954 459 2HA GLY 58 1HA GLY 58 -6.241 -4.932 15.478 460 H ARG 59 H ARG 59 -7.619 -3.885 13.124 461 HA ARG 59 HA ARG 59 -5.272 -3.357 11.448 462 1HB ARG 59 2HB ARG 59 -6.313 -5.570 11.033 463 2HB ARG 59 1HB ARG 59 -7.834 -4.768 10.664 464 1HG ARG 59 2HG ARG 59 -6.751 -3.620 8.781 465 2HG ARG 59 1HG ARG 59 -5.256 -4.489 9.134 466 1HD ARG 59 2HD ARG 59 -7.894 -5.760 8.418 467 2HD ARG 59 1HD ARG 59 -6.540 -5.531 7.315 468 HE ARG 59 HE ARG 59 -5.642 -6.953 9.558 469 1HH1 ARG 59 1HH1 ARG 59 -7.746 -7.378 6.785 470 2HH1 ARG 59 2HH1 ARG 59 -7.494 -9.101 6.711 471 1HH2 ARG 59 1HH2 ARG 59 -5.325 -9.221 9.464 472 2HH2 ARG 59 2HH2 ARG 59 -6.144 -10.143 8.234 473 H TRP 60 H TRP 60 -5.413 -1.797 9.924 474 HA TRP 60 HA TRP 60 -7.096 0.393 10.504 475 1HB TRP 60 2HB TRP 60 -5.145 -0.152 8.275 476 2HB TRP 60 1HB TRP 60 -6.045 1.359 8.394 477 HD1 TRP 60 HD TRP 60 -4.047 -0.679 11.043 478 HE1 TRP 60 1HE TRP 60 -2.464 0.945 12.257 479 HE3 TRP 60 3HE TRP 60 -5.174 3.600 8.483 480 HZ2 TRP 60 2HZ TRP 60 -1.779 3.680 12.130 481 HZ3 TRP 60 3HZ TRP 60 -4.008 5.677 9.092 482 HH2 TRP 60 HH TRP 60 -2.344 5.712 10.876 483 H LYS 61 H LYS 61 -8.888 1.127 9.604 484 HA LYS 61 HA LYS 61 -10.455 -0.636 7.979 485 1HB LYS 61 2HB LYS 61 -11.011 2.203 8.871 486 2HB LYS 61 1HB LYS 61 -12.195 1.066 8.233 487 1HG LYS 61 2HG LYS 61 -12.039 -0.315 10.153 488 2HG LYS 61 1HG LYS 61 -10.602 0.531 10.726 489 1HD LYS 61 2HD LYS 61 -12.473 1.248 12.039 490 2HD LYS 61 1HD LYS 61 -11.981 2.579 10.992 491 1HE LYS 61 2HE LYS 61 -13.795 2.042 9.446 492 2HE LYS 61 1HE LYS 61 -14.280 0.694 10.475 493 1HZ LYS 61 1HZ LYS 61 -15.644 2.667 10.853 494 2HZ LYS 61 2HZ LYS 61 -14.264 3.557 11.280 495 3HZ LYS 61 3HZ LYS 61 -14.768 2.257 12.248 496 H SER 62 H SER 62 -10.701 -0.602 5.831 497 HA SER 62 HA SER 62 -8.892 0.701 4.188 498 1HB SER 62 2HB SER 62 -11.565 -0.477 3.438 499 2HB SER 62 1HB SER 62 -10.249 -0.126 2.317 500 HG SER 62 HG SER 62 -9.151 -1.812 3.037 501 H GLU 63 H GLU 63 -12.186 1.676 5.066 502 HA GLU 63 HA GLU 63 -12.418 3.780 3.192 503 1HB GLU 63 2HB GLU 63 -14.341 2.889 4.460 504 2HB GLU 63 1HB GLU 63 -13.667 3.562 5.939 505 1HG GLU 63 2HG GLU 63 -13.800 5.823 4.823 506 2HG GLU 63 1HG GLU 63 -14.752 5.044 3.562 507 H ASN 64 H ASN 64 -11.076 3.603 6.433 508 HA ASN 64 HA ASN 64 -10.644 6.412 6.695 509 1HB ASN 64 2HB ASN 64 -10.837 4.688 8.584 510 2HB ASN 64 1HB ASN 64 -9.170 4.255 8.210 511 1HD2 ASN 64 1HD2 ASN 64 -8.370 4.938 10.161 512 2HD2 ASN 64 2HD2 ASN 64 -8.284 6.602 10.612 513 H LEU 65 H LEU 65 -8.825 3.691 5.489 514 HA LEU 65 HA LEU 65 -6.293 4.916 5.304 515 1HB LEU 65 2HB LEU 65 -7.554 2.684 3.721 516 2HB LEU 65 1HB LEU 65 -5.879 3.168 3.540 517 HG LEU 65 HG LEU 65 -7.059 2.209 6.146 518 1HD1 LEU 65 1HD1 LEU 65 -5.474 0.673 4.094 519 2HD1 LEU 65 2HD1 LEU 65 -7.180 0.436 4.475 520 3HD1 LEU 65 3HD1 LEU 65 -5.948 0.087 5.688 521 1HD2 LEU 65 1HD2 LEU 65 -5.080 3.591 6.392 522 2HD2 LEU 65 2HD2 LEU 65 -4.225 2.618 5.197 523 3HD2 LEU 65 3HD2 LEU 65 -4.688 1.909 6.745 524 H PHE 66 H PHE 66 -8.992 4.692 3.024 525 HA PHE 66 HA PHE 66 -7.722 6.001 0.874 526 1HB PHE 66 2HB PHE 66 -9.793 4.652 0.675 527 2HB PHE 66 1HB PHE 66 -10.671 5.906 1.541 528 HD1 PHE 66 2HD PHE 66 -8.604 5.370 -1.508 529 HD2 PHE 66 1HD PHE 66 -11.703 7.606 0.367 530 HE1 PHE 66 2HE PHE 66 -9.055 6.520 -3.634 531 HE2 PHE 66 1HE PHE 66 -12.162 8.755 -1.759 532 HZ PHE 66 HZ PHE 66 -10.836 8.216 -3.762 533 H LYS 67 H LYS 67 -9.510 7.163 3.653 534 HA LYS 67 HA LYS 67 -9.628 9.893 2.790 535 1HB LYS 67 2HB LYS 67 -11.031 8.546 4.578 536 2HB LYS 67 1HB LYS 67 -9.782 9.112 5.665 537 1HG LYS 67 2HG LYS 67 -11.834 10.547 5.561 538 2HG LYS 67 1HG LYS 67 -10.308 11.383 5.262 539 1HD LYS 67 2HD LYS 67 -10.702 11.373 2.892 540 2HD LYS 67 1HD LYS 67 -12.129 10.353 3.087 541 1HE LYS 67 2HE LYS 67 -11.891 13.076 4.340 542 2HE LYS 67 1HE LYS 67 -12.534 12.834 2.716 543 1HZ LYS 67 1HZ LYS 67 -14.290 11.497 3.586 544 2HZ LYS 67 2HZ LYS 67 -14.253 12.942 4.475 545 3HZ LYS 67 3HZ LYS 67 -13.628 11.520 5.147 546 H ALA 68 H ALA 68 -7.627 8.026 4.995 547 HA ALA 68 HA ALA 68 -5.925 10.041 5.906 548 1HB ALA 68 1HB ALA 68 -4.323 8.274 6.399 549 2HB ALA 68 2HB ALA 68 -5.216 7.160 5.364 550 3HB ALA 68 3HB ALA 68 -5.956 7.780 6.842 551 H SER 69 H SER 69 -5.796 8.128 2.941 552 HA SER 69 HA SER 69 -3.305 9.058 2.013 553 1HB SER 69 2HB SER 69 -5.700 8.125 0.415 554 2HB SER 69 1HB SER 69 -4.045 8.254 -0.185 555 HG SER 69 HG SER 69 -5.044 6.508 1.820 556 H LYS 70 H LYS 70 -6.531 10.393 1.870 557 HA LYS 70 HA LYS 70 -6.055 12.469 0.013 558 1HB LYS 70 2HB LYS 70 -8.262 11.562 1.189 559 2HB LYS 70 1HB LYS 70 -7.917 12.853 2.322 560 1HG LYS 70 2HG LYS 70 -8.191 13.282 -0.640 561 2HG LYS 70 1HG LYS 70 -9.524 13.439 0.504 562 1HD LYS 70 2HD LYS 70 -8.206 15.163 1.714 563 2HD LYS 70 1HD LYS 70 -6.977 15.060 0.451 564 1HE LYS 70 2HE LYS 70 -8.654 15.716 -1.217 565 2HE LYS 70 1HE LYS 70 -9.864 15.846 0.060 566 1HZ LYS 70 1HZ LYS 70 -7.439 17.512 -0.317 567 2HZ LYS 70 2HZ LYS 70 -8.356 17.528 1.109 568 3HZ LYS 70 3HZ LYS 70 -9.060 18.011 -0.353 569 H LEU 71 H LEU 71 -5.806 12.263 3.527 570 HA LEU 71 HA LEU 71 -4.905 14.928 3.923 571 1HB LEU 71 2HB LEU 71 -4.578 12.478 5.651 572 2HB LEU 71 1HB LEU 71 -4.197 14.111 6.159 573 HG LEU 71 HG LEU 71 -6.938 13.095 5.405 574 1HD1 LEU 71 1HD1 LEU 71 -5.776 13.867 8.075 575 2HD1 LEU 71 2HD1 LEU 71 -6.167 12.231 7.544 576 3HD1 LEU 71 3HD1 LEU 71 -7.454 13.418 7.770 577 1HD2 LEU 71 1HD2 LEU 71 -6.062 15.798 6.416 578 2HD2 LEU 71 2HD2 LEU 71 -7.730 15.276 6.180 579 3HD2 LEU 71 3HD2 LEU 71 -6.651 15.435 4.794 580 H LEU 72 H LEU 72 -3.254 11.897 3.271 581 HA LEU 72 HA LEU 72 -0.615 12.787 3.798 582 1HB LEU 72 2HB LEU 72 -1.661 10.571 2.048 583 2HB LEU 72 1HB LEU 72 0.045 10.844 2.340 584 HG LEU 72 HG LEU 72 -1.998 10.184 4.466 585 1HD1 LEU 72 1HD1 LEU 72 0.153 8.475 3.221 586 2HD1 LEU 72 2HD1 LEU 72 -1.582 8.309 2.958 587 3HD1 LEU 72 3HD1 LEU 72 -0.901 8.008 4.557 588 1HD2 LEU 72 1HD2 LEU 72 -0.036 9.881 5.912 589 2HD2 LEU 72 2HD2 LEU 72 -0.182 11.542 5.335 590 3HD2 LEU 72 3HD2 LEU 72 1.004 10.459 4.607 591 H ARG 73 H ARG 73 -2.743 13.749 1.446 592 HA ARG 73 HA ARG 73 -1.202 14.165 -0.840 593 1HB ARG 73 2HB ARG 73 -3.703 14.532 -0.408 594 2HB ARG 73 1HB ARG 73 -3.256 16.092 0.248 595 1HG ARG 73 2HG ARG 73 -2.525 15.282 -2.533 596 2HG ARG 73 1HG ARG 73 -4.101 15.955 -2.149 597 1HD ARG 73 2HD ARG 73 -2.761 17.861 -1.036 598 2HD ARG 73 1HD ARG 73 -1.408 17.254 -1.994 599 HE ARG 73 HE ARG 73 -3.365 17.490 -3.829 600 1HH1 ARG 73 1HH1 ARG 73 -2.017 19.721 -1.481 601 2HH1 ARG 73 2HH1 ARG 73 -2.513 21.134 -2.368 602 1HH2 ARG 73 1HH2 ARG 73 -4.006 19.327 -4.984 603 2HH2 ARG 73 2HH2 ARG 73 -3.648 20.916 -4.364 604 H SER 74 H SER 74 -1.174 15.713 2.263 605 HA SER 74 HA SER 74 0.155 18.103 1.701 606 1HB SER 74 2HB SER 74 -0.832 17.590 3.892 607 2HB SER 74 1HB SER 74 0.375 16.332 4.151 608 HG SER 74 HG SER 74 1.755 17.800 4.751 609 H ASN 75 H ASN 75 1.358 14.819 2.008 610 HA ASN 75 HA ASN 75 4.138 15.627 1.919 611 1HB ASN 75 2HB ASN 75 3.314 13.567 3.133 612 2HB ASN 75 1HB ASN 75 2.966 12.856 1.567 613 1HD2 ASN 75 1HD2 ASN 75 4.857 12.136 3.762 614 2HD2 ASN 75 2HD2 ASN 75 6.393 11.966 2.991 615 H ASN 76 H ASN 76 1.883 13.885 -0.206 616 HA ASN 76 HA ASN 76 3.107 15.115 -2.520 617 1HB ASN 76 2HB ASN 76 4.515 13.171 -2.323 618 2HB ASN 76 1HB ASN 76 3.121 12.123 -2.085 619 1HD2 ASN 76 1HD2 ASN 76 4.906 14.043 -4.413 620 2HD2 ASN 76 2HD2 ASN 76 4.234 13.277 -5.819 621 H THR 77 H THR 77 1.681 15.384 -4.165 622 HA THR 77 HA THR 77 -1.059 15.214 -3.455 623 HB THR 77 HB THR 77 -0.105 17.050 -4.814 624 HG1 THR 77 1HG THR 77 -1.845 16.976 -6.469 625 1HG2 THR 77 1HG2 THR 77 0.257 16.693 -7.228 626 2HG2 THR 77 2HG2 THR 77 0.044 14.959 -6.987 627 3HG2 THR 77 3HG2 THR 77 1.406 15.793 -6.236 628 H GLU 78 H GLU 78 1.012 13.031 -5.119 629 HA GLU 78 HA GLU 78 -1.110 11.786 -6.636 630 1HB GLU 78 2HB GLU 78 1.799 11.063 -6.319 631 2HB GLU 78 1HB GLU 78 0.678 10.311 -7.433 632 1HG GLU 78 2HG GLU 78 0.409 12.408 -8.623 633 2HG GLU 78 1HG GLU 78 1.473 13.210 -7.468 634 H ILE 79 H ILE 79 0.072 11.549 -3.505 635 HA ILE 79 HA ILE 79 0.196 8.861 -2.927 636 HB ILE 79 HB ILE 79 -0.973 11.022 -1.171 637 1HG1 ILE 79 2HG1 ILE 79 1.375 11.384 -1.890 638 2HG1 ILE 79 1HG1 ILE 79 1.223 11.135 -0.154 639 1HG2 ILE 79 1HG2 ILE 79 -1.695 8.843 -0.398 640 2HG2 ILE 79 2HG2 ILE 79 -0.495 9.515 0.706 641 3HG2 ILE 79 3HG2 ILE 79 -0.034 8.253 -0.437 642 1HD1 ILE 79 1HD1 ILE 79 3.158 9.980 -1.025 643 2HD1 ILE 79 2HD1 ILE 79 2.146 9.101 -2.174 644 3HD1 ILE 79 3HD1 ILE 79 1.965 8.819 -0.443 645 HA PRO 80 HA PRO 80 -4.626 8.686 -2.113 646 1HB PRO 80 2HB PRO 80 -6.049 10.570 -3.551 647 2HB PRO 80 1HB PRO 80 -5.676 10.688 -1.829 648 1HG PRO 80 2HG PRO 80 -4.299 11.953 -4.158 649 2HG PRO 80 1HG PRO 80 -4.664 12.638 -2.563 650 1HD PRO 80 2HD PRO 80 -2.202 11.783 -3.190 651 2HD PRO 80 1HD PRO 80 -2.868 11.569 -1.558 652 H ILE 81 H ILE 81 -3.298 9.841 -5.153 653 HA ILE 81 HA ILE 81 -5.105 8.422 -6.850 654 HB ILE 81 HB ILE 81 -2.335 9.452 -7.504 655 1HG1 ILE 81 2HG1 ILE 81 -5.016 10.824 -7.834 656 2HG1 ILE 81 1HG1 ILE 81 -3.834 11.213 -6.591 657 1HG2 ILE 81 1HG2 ILE 81 -3.144 9.489 -9.814 658 2HG2 ILE 81 2HG2 ILE 81 -4.681 8.804 -9.289 659 3HG2 ILE 81 3HG2 ILE 81 -3.199 7.860 -9.141 660 1HD1 ILE 81 1HD1 ILE 81 -3.420 11.492 -9.556 661 2HD1 ILE 81 2HD1 ILE 81 -2.248 11.901 -8.304 662 3HD1 ILE 81 3HD1 ILE 81 -3.760 12.802 -8.427 663 H LEU 82 H LEU 82 -1.858 7.818 -5.593 664 HA LEU 82 HA LEU 82 -1.435 5.377 -6.971 665 1HB LEU 82 2HB LEU 82 -0.224 6.403 -4.403 666 2HB LEU 82 1HB LEU 82 0.370 5.027 -5.310 667 HG LEU 82 HG LEU 82 0.283 7.865 -6.340 668 1HD1 LEU 82 1HD1 LEU 82 1.911 7.612 -4.546 669 2HD1 LEU 82 2HD1 LEU 82 2.711 7.818 -6.104 670 3HD1 LEU 82 3HD1 LEU 82 2.614 6.218 -5.368 671 1HD2 LEU 82 1HD2 LEU 82 1.677 6.987 -8.158 672 2HD2 LEU 82 2HD2 LEU 82 0.081 6.236 -8.124 673 3HD2 LEU 82 3HD2 LEU 82 1.482 5.359 -7.510 674 H TRP 83 H TRP 83 -2.691 6.146 -3.740 675 HA TRP 83 HA TRP 83 -3.136 3.463 -2.933 676 1HB TRP 83 2HB TRP 83 -3.158 5.262 -1.295 677 2HB TRP 83 1HB TRP 83 -4.541 6.014 -2.089 678 HD1 TRP 83 HD TRP 83 -6.805 5.457 -1.016 679 HE1 TRP 83 1HE TRP 83 -7.729 3.571 0.475 680 HE3 TRP 83 3HE TRP 83 -2.661 2.463 -0.806 681 HZ2 TRP 83 2HZ TRP 83 -6.818 1.133 1.584 682 HZ3 TRP 83 3HZ TRP 83 -2.774 0.387 0.468 683 HH2 TRP 83 HH TRP 83 -4.806 -0.269 1.647 684 H LYS 84 H LYS 84 -5.058 5.792 -4.749 685 HA LYS 84 HA LYS 84 -7.511 4.532 -4.883 686 1HB LYS 84 2HB LYS 84 -7.091 6.732 -5.836 687 2HB LYS 84 1HB LYS 84 -6.039 6.031 -7.053 688 1HG LYS 84 2HG LYS 84 -8.055 4.725 -7.850 689 2HG LYS 84 1HG LYS 84 -9.020 5.772 -6.805 690 1HD LYS 84 2HD LYS 84 -8.258 7.728 -7.990 691 2HD LYS 84 1HD LYS 84 -7.159 6.750 -8.965 692 1HE LYS 84 2HE LYS 84 -9.145 5.527 -9.844 693 2HE LYS 84 1HE LYS 84 -10.170 6.673 -8.978 694 1HZ LYS 84 1HZ LYS 84 -8.186 7.396 -11.062 695 2HZ LYS 84 2HZ LYS 84 -9.236 8.464 -10.266 696 3HZ LYS 84 3HZ LYS 84 -9.859 7.280 -11.307 697 H SER 85 H SER 85 -4.688 4.018 -6.965 698 HA SER 85 HA SER 85 -5.841 2.048 -8.595 699 1HB SER 85 2HB SER 85 -2.932 2.480 -7.887 700 2HB SER 85 1HB SER 85 -3.524 1.509 -9.239 701 HG SER 85 HG SER 85 -2.928 3.701 -9.808 702 H ALA 86 H ALA 86 -3.974 1.768 -5.578 703 HA ALA 86 HA ALA 86 -3.960 -1.069 -5.505 704 1HB ALA 86 1HB ALA 86 -3.793 0.865 -3.195 705 2HB ALA 86 2HB ALA 86 -2.428 0.323 -4.171 706 3HB ALA 86 3HB ALA 86 -3.314 -0.832 -3.176 707 H TRP 87 H TRP 87 -6.117 1.380 -4.205 708 HA TRP 87 HA TRP 87 -7.943 -0.242 -2.853 709 1HB TRP 87 2HB TRP 87 -7.912 2.200 -2.686 710 2HB TRP 87 1HB TRP 87 -8.365 2.343 -4.377 711 HD1 TRP 87 HD TRP 87 -10.772 3.096 -4.579 712 HE1 TRP 87 1HE TRP 87 -12.973 2.676 -3.313 713 HE3 TRP 87 3HE TRP 87 -9.025 -0.043 -0.939 714 HZ2 TRP 87 2HZ TRP 87 -13.854 1.195 -1.073 715 HZ3 TRP 87 3HZ TRP 87 -10.613 -0.916 0.722 716 HH2 TRP 87 HH TRP 87 -12.975 -0.308 0.656 717 H THR 88 H THR 88 -7.826 0.793 -6.233 718 HA THR 88 HA THR 88 -10.176 -0.422 -7.135 719 HB THR 88 HB THR 88 -7.610 0.048 -8.675 720 HG1 THR 88 1HG THR 88 -8.459 1.962 -7.758 721 1HG2 THR 88 1HG2 THR 88 -9.025 0.065 -10.663 722 2HG2 THR 88 2HG2 THR 88 -10.443 -0.291 -9.677 723 3HG2 THR 88 3HG2 THR 88 -9.153 -1.484 -9.831 724 H LEU 89 H LEU 89 -6.898 -1.706 -6.806 725 HA LEU 89 HA LEU 89 -7.165 -4.149 -8.090 726 1HB LEU 89 2HB LEU 89 -5.610 -3.489 -5.588 727 2HB LEU 89 1HB LEU 89 -5.431 -4.977 -6.493 728 HG LEU 89 HG LEU 89 -4.823 -2.220 -7.565 729 1HD1 LEU 89 1HD1 LEU 89 -3.264 -2.896 -5.810 730 2HD1 LEU 89 2HD1 LEU 89 -2.486 -2.903 -7.393 731 3HD1 LEU 89 3HD1 LEU 89 -2.978 -4.423 -6.645 732 1HD2 LEU 89 1HD2 LEU 89 -5.514 -3.782 -9.306 733 2HD2 LEU 89 2HD2 LEU 89 -4.337 -4.961 -8.727 734 3HD2 LEU 89 3HD2 LEU 89 -3.789 -3.434 -9.421 735 H HIS 90 H HIS 90 -8.190 -3.193 -4.865 736 HA HIS 90 HA HIS 90 -8.896 -5.920 -4.185 737 1HB HIS 90 2HB HIS 90 -7.970 -3.970 -2.627 738 2HB HIS 90 1HB HIS 90 -9.693 -3.647 -2.439 739 HD1 HIS 90 1HD HIS 90 -10.860 -4.999 -0.694 740 HD2 HIS 90 2HD HIS 90 -7.325 -6.775 -1.986 741 HE1 HIS 90 1HE HIS 90 -10.545 -7.036 0.758 742 HE2 HIS 90 2HE HIS 90 -8.480 -8.182 -0.160 743 H VAL 91 H VAL 91 -10.526 -2.878 -4.952 744 HA VAL 91 HA VAL 91 -13.138 -3.644 -4.294 745 HB VAL 91 HB VAL 91 -12.205 -1.705 -6.415 746 1HG1 VAL 91 1HG1 VAL 91 -14.479 -2.433 -6.900 747 2HG1 VAL 91 2HG1 VAL 91 -14.469 -0.766 -6.327 748 3HG1 VAL 91 3HG1 VAL 91 -14.962 -2.067 -5.244 749 1HG2 VAL 91 1HG2 VAL 91 -13.171 -1.279 -3.592 750 2HG2 VAL 91 2HG2 VAL 91 -12.770 -0.005 -4.742 751 3HG2 VAL 91 3HG2 VAL 91 -11.513 -1.100 -4.169 752 H GLU 92 H GLU 92 -11.623 -3.633 -7.532 753 HA GLU 92 HA GLU 92 -13.442 -5.836 -8.206 754 1HB GLU 92 2HB GLU 92 -12.615 -3.517 -9.947 755 2HB GLU 92 1HB GLU 92 -13.328 -4.992 -10.593 756 1HG GLU 92 2HG GLU 92 -15.285 -4.632 -9.102 757 2HG GLU 92 1HG GLU 92 -14.584 -3.087 -8.631 758 H GLY 93 H GLY 93 -11.486 -6.761 -7.143 759 1HA GLY 93 2HA GLY 93 -9.888 -7.952 -9.270 760 2HA GLY 93 1HA GLY 93 -9.051 -7.304 -7.852 761 H PHE 94 H PHE 94 -10.222 -10.052 -9.115 762 HA PHE 94 HA PHE 94 -10.810 -12.110 -8.339 763 1HB PHE 94 2HB PHE 94 -9.194 -11.725 -6.478 764 2HB PHE 94 1HB PHE 94 -10.480 -10.971 -5.549 765 HD1 PHE 94 1HD PHE 94 -10.227 -14.118 -7.555 766 HD2 PHE 94 2HD PHE 94 -11.145 -12.300 -3.819 767 HE1 PHE 94 1HE PHE 94 -10.852 -16.317 -6.642 768 HE2 PHE 94 2HE PHE 94 -11.776 -14.493 -2.901 769 HZ PHE 94 HZ PHE 94 -11.629 -16.504 -4.313 770 H HIS 95 H HIS 95 -12.409 -9.488 -8.443 771 HA HIS 95 HA HIS 95 -14.841 -10.175 -7.016 772 1HB HIS 95 2HB HIS 95 -13.994 -7.803 -7.356 773 2HB HIS 95 1HB HIS 95 -14.400 -7.978 -9.056 774 HD1 HIS 95 1HD HIS 95 -15.984 -7.719 -5.658 775 HD2 HIS 95 2HD HIS 95 -17.083 -7.632 -9.668 776 HE1 HIS 95 1HE HIS 95 -18.354 -6.872 -5.694 777 HE2 HIS 95 2HE HIS 95 -19.051 -6.978 -8.114 778 H GLU 96 H GLU 96 -14.464 -9.151 -10.383 779 HA GLU 96 HA GLU 96 -15.437 -11.734 -11.336 780 1HB GLU 96 2HB GLU 96 -16.655 -9.080 -12.127 781 2HB GLU 96 1HB GLU 96 -16.944 -10.593 -12.971 782 1HG GLU 96 2HG GLU 96 -17.830 -11.513 -10.810 783 2HG GLU 96 1HG GLU 96 -17.742 -9.872 -10.168 784 H LEU 97 H LEU 97 -14.367 -8.500 -12.267 785 HA LEU 97 HA LEU 97 -12.824 -9.590 -14.467 786 1HB LEU 97 2HB LEU 97 -13.335 -6.760 -13.540 787 2HB LEU 97 1HB LEU 97 -12.226 -7.155 -14.836 788 HG LEU 97 HG LEU 97 -14.222 -6.459 -15.874 789 1HD1 LEU 97 1HD1 LEU 97 -14.987 -8.443 -17.065 790 2HD1 LEU 97 2HD1 LEU 97 -14.212 -9.468 -15.857 791 3HD1 LEU 97 3HD1 LEU 97 -13.232 -8.425 -16.889 792 1HD2 LEU 97 1HD2 LEU 97 -16.422 -7.410 -15.376 793 2HD2 LEU 97 2HD2 LEU 97 -15.724 -6.595 -13.976 794 3HD2 LEU 97 3HD2 LEU 97 -15.711 -8.356 -14.067 795 H SER 98 H SER 98 -11.040 -10.525 -13.820 796 HA SER 98 HA SER 98 -9.605 -9.804 -11.452 797 1HB SER 98 2HB SER 98 -8.684 -11.598 -13.708 798 2HB SER 98 1HB SER 98 -8.123 -11.611 -12.034 799 HG SER 98 HG SER 98 -10.241 -12.870 -13.141 800 H LEU 99 H LEU 99 -9.868 -7.800 -13.691 801 HA LEU 99 HA LEU 99 -8.693 -6.212 -14.781 802 1HB LEU 99 2HB LEU 99 -6.568 -7.021 -12.800 803 2HB LEU 99 1HB LEU 99 -6.469 -5.607 -13.832 804 HG LEU 99 HG LEU 99 -8.558 -6.083 -11.702 805 1HD1 LEU 99 1HD1 LEU 99 -6.312 -5.625 -10.817 806 2HD1 LEU 99 2HD1 LEU 99 -7.444 -4.314 -10.486 807 3HD1 LEU 99 3HD1 LEU 99 -6.250 -4.146 -11.774 808 1HD2 LEU 99 1HD2 LEU 99 -8.062 -3.686 -13.465 809 2HD2 LEU 99 2HD2 LEU 99 -9.235 -3.779 -12.151 810 3HD2 LEU 99 3HD2 LEU 99 -9.430 -4.791 -13.583 811 H ASN 100 H ASN 100 -6.082 -5.957 -15.599 812 HA ASN 100 HA ASN 100 -5.558 -8.431 -17.081 813 1HB ASN 100 2HB ASN 100 -5.545 -5.683 -18.347 814 2HB ASN 100 1HB ASN 100 -5.203 -7.210 -19.152 815 1HD2 ASN 100 1HD2 ASN 100 -7.607 -5.056 -18.028 816 2HD2 ASN 100 2HD2 ASN 100 -8.986 -5.906 -18.638 817 H GLU 101 H GLU 101 -3.428 -8.515 -18.015 818 HA GLU 101 HA GLU 101 -1.383 -8.049 -16.225 819 1HB GLU 101 2HB GLU 101 -1.555 -9.561 -18.318 820 2HB GLU 101 1HB GLU 101 -0.953 -8.170 -19.201 821 1HG GLU 101 2HG GLU 101 0.499 -9.366 -16.865 822 2HG GLU 101 1HG GLU 101 0.740 -9.904 -18.524 823 H LYS 102 H LYS 102 -2.546 -6.012 -18.841 824 HA LYS 102 HA LYS 102 -0.545 -4.149 -19.118 825 1HB LYS 102 2HB LYS 102 -2.767 -4.459 -20.366 826 2HB LYS 102 1HB LYS 102 -3.474 -3.451 -19.115 827 1HG LYS 102 2HG LYS 102 -1.108 -2.495 -20.667 828 2HG LYS 102 1HG LYS 102 -2.730 -2.403 -21.347 829 1HD LYS 102 2HD LYS 102 -3.409 -1.159 -19.254 830 2HD LYS 102 1HD LYS 102 -1.693 -1.081 -18.845 831 1HE LYS 102 2HE LYS 102 -1.233 0.112 -20.908 832 2HE LYS 102 1HE LYS 102 -2.922 -0.022 -21.387 833 1HZ LYS 102 1HZ LYS 102 -2.805 2.085 -20.520 834 2HZ LYS 102 2HZ LYS 102 -1.715 1.665 -19.297 835 3HZ LYS 102 3HZ LYS 102 -3.345 1.210 -19.173 836 H GLU 103 H GLU 103 -3.219 -4.141 -16.772 837 HA GLU 103 HA GLU 103 -2.492 -1.656 -15.604 838 1HB GLU 103 2HB GLU 103 -4.379 -3.865 -14.856 839 2HB GLU 103 1HB GLU 103 -4.072 -2.535 -13.755 840 1HG GLU 103 2HG GLU 103 -5.013 -2.168 -16.582 841 2HG GLU 103 1HG GLU 103 -6.096 -2.284 -15.195 842 H VAL 104 H VAL 104 -1.684 -4.997 -14.986 843 HA VAL 104 HA VAL 104 -0.691 -4.689 -12.361 844 HB VAL 104 HB VAL 104 0.169 -6.721 -14.432 845 1HG1 VAL 104 1HG1 VAL 104 0.732 -8.107 -12.470 846 2HG1 VAL 104 2HG1 VAL 104 0.371 -6.735 -11.422 847 3HG1 VAL 104 3HG1 VAL 104 1.707 -6.640 -12.570 848 1HG2 VAL 104 1HG2 VAL 104 -2.035 -6.856 -12.375 849 2HG2 VAL 104 2HG2 VAL 104 -1.522 -8.179 -13.423 850 3HG2 VAL 104 3HG2 VAL 104 -2.248 -6.732 -14.120 851 H LYS 105 H LYS 105 0.842 -4.411 -15.541 852 HA LYS 105 HA LYS 105 3.481 -4.021 -14.667 853 1HB LYS 105 2HB LYS 105 1.989 -3.156 -17.124 854 2HB LYS 105 1HB LYS 105 3.662 -2.676 -16.865 855 1HG LYS 105 2HG LYS 105 4.352 -4.987 -16.786 856 2HG LYS 105 1HG LYS 105 2.672 -5.516 -16.929 857 1HD LYS 105 2HD LYS 105 2.507 -4.554 -19.131 858 2HD LYS 105 1HD LYS 105 4.122 -3.858 -18.985 859 1HE LYS 105 2HE LYS 105 5.150 -5.981 -19.065 860 2HE LYS 105 1HE LYS 105 3.617 -6.816 -18.805 861 1HZ LYS 105 1HZ LYS 105 2.872 -6.034 -20.966 862 2HZ LYS 105 2HZ LYS 105 4.295 -6.943 -21.118 863 3HZ LYS 105 3HZ LYS 105 4.353 -5.250 -21.220 864 H LYS 106 H LYS 106 0.776 -1.806 -14.911 865 HA LYS 106 HA LYS 106 2.353 0.519 -14.337 866 1HB LYS 106 2HB LYS 106 0.126 0.513 -15.537 867 2HB LYS 106 1HB LYS 106 -0.631 0.190 -13.984 868 1HG LYS 106 2HG LYS 106 0.200 2.289 -13.107 869 2HG LYS 106 1HG LYS 106 1.052 2.609 -14.617 870 1HD LYS 106 2HD LYS 106 -0.865 3.864 -14.892 871 2HD LYS 106 1HD LYS 106 -1.316 2.356 -15.686 872 1HE LYS 106 2HE LYS 106 -1.993 3.057 -12.832 873 2HE LYS 106 1HE LYS 106 -3.077 3.292 -14.198 874 1HZ LYS 106 1HZ LYS 106 -3.070 0.919 -14.592 875 2HZ LYS 106 2HZ LYS 106 -3.546 1.244 -12.995 876 3HZ LYS 106 3HZ LYS 106 -1.981 0.682 -13.314 877 H LEU 107 H LEU 107 0.193 -1.597 -12.496 878 HA LEU 107 HA LEU 107 0.265 -0.158 -10.088 879 1HB LEU 107 2HB LEU 107 -0.675 -2.789 -10.967 880 2HB LEU 107 1HB LEU 107 -0.218 -2.718 -9.277 881 HG LEU 107 HG LEU 107 -2.586 -2.304 -9.493 882 1HD1 LEU 107 1HD1 LEU 107 -2.744 -0.169 -8.342 883 2HD1 LEU 107 2HD1 LEU 107 -1.111 0.250 -8.858 884 3HD1 LEU 107 3HD1 LEU 107 -1.366 -1.097 -7.748 885 1HD2 LEU 107 1HD2 LEU 107 -3.443 -0.361 -10.712 886 2HD2 LEU 107 2HD2 LEU 107 -2.629 -1.497 -11.789 887 3HD2 LEU 107 3HD2 LEU 107 -1.817 -0.010 -11.298 888 H LYS 108 H LYS 108 2.415 -2.683 -11.306 889 HA LYS 108 HA LYS 108 3.644 -3.321 -8.870 890 1HB LYS 108 2HB LYS 108 5.480 -4.233 -10.163 891 2HB LYS 108 1HB LYS 108 3.953 -4.649 -10.923 892 1HG LYS 108 2HG LYS 108 4.288 -2.866 -12.566 893 2HG LYS 108 1HG LYS 108 5.825 -2.460 -11.802 894 1HD LYS 108 2HD LYS 108 6.197 -3.838 -13.772 895 2HD LYS 108 1HD LYS 108 6.656 -4.720 -12.314 896 1HE LYS 108 2HE LYS 108 4.615 -5.981 -12.369 897 2HE LYS 108 1HE LYS 108 3.997 -5.008 -13.701 898 1HZ LYS 108 1HZ LYS 108 4.817 -7.099 -14.520 899 2HZ LYS 108 2HZ LYS 108 6.332 -6.844 -13.797 900 3HZ LYS 108 3HZ LYS 108 5.828 -5.854 -15.077 901 H GLU 109 H GLU 109 4.115 -0.626 -11.037 902 HA GLU 109 HA GLU 109 6.491 0.322 -9.682 903 1HB GLU 109 2HB GLU 109 5.525 0.703 -12.187 904 2HB GLU 109 1HB GLU 109 4.920 2.155 -11.408 905 1HG GLU 109 2HG GLU 109 7.808 1.314 -11.374 906 2HG GLU 109 1HG GLU 109 7.113 2.406 -12.566 907 H ASP 110 H ASP 110 3.036 1.085 -9.798 908 HA ASP 110 HA ASP 110 3.034 3.371 -8.182 909 1HB ASP 110 2HB ASP 110 0.904 1.233 -8.441 910 2HB ASP 110 1HB ASP 110 0.662 2.803 -7.684 911 H VAL 111 H VAL 111 2.595 -0.045 -7.299 912 HA VAL 111 HA VAL 111 2.449 0.421 -4.504 913 HB VAL 111 HB VAL 111 3.258 -2.106 -5.966 914 1HG1 VAL 111 1HG1 VAL 111 2.618 -3.267 -3.899 915 2HG1 VAL 111 2HG1 VAL 111 2.356 -1.709 -3.112 916 3HG1 VAL 111 3HG1 VAL 111 3.975 -2.169 -3.642 917 1HG2 VAL 111 1HG2 VAL 111 1.032 -1.332 -6.593 918 2HG2 VAL 111 2HG2 VAL 111 0.577 -1.233 -4.892 919 3HG2 VAL 111 3HG2 VAL 111 0.937 -2.798 -5.620 920 H ARG 112 H ARG 112 5.137 -0.294 -6.702 921 HA ARG 112 HA ARG 112 7.129 -0.646 -4.774 922 1HB ARG 112 2HB ARG 112 7.054 -0.031 -7.648 923 2HB ARG 112 1HB ARG 112 8.499 0.516 -6.820 924 1HG ARG 112 2HG ARG 112 8.848 -1.768 -5.968 925 2HG ARG 112 1HG ARG 112 7.426 -2.293 -6.868 926 1HD ARG 112 2HD ARG 112 8.496 -1.659 -8.960 927 2HD ARG 112 1HD ARG 112 9.906 -1.074 -8.076 928 HE ARG 112 HE ARG 112 9.393 -3.779 -7.416 929 1HH1 ARG 112 1HH1 ARG 112 10.697 -1.773 -9.984 930 2HH1 ARG 112 2HH1 ARG 112 11.702 -3.041 -10.627 931 1HH2 ARG 112 1HH2 ARG 112 10.691 -5.434 -8.270 932 2HH2 ARG 112 2HH2 ARG 112 11.701 -5.129 -9.650 933 H LYS 113 H LYS 113 5.878 2.300 -6.284 934 HA LYS 113 HA LYS 113 7.587 4.166 -5.135 935 1HB LYS 113 2HB LYS 113 4.710 4.240 -5.975 936 2HB LYS 113 1HB LYS 113 5.434 5.632 -5.189 937 1HG LYS 113 2HG LYS 113 6.526 4.360 -7.686 938 2HG LYS 113 1HG LYS 113 5.416 5.733 -7.675 939 1HD LYS 113 2HD LYS 113 7.083 6.943 -6.237 940 2HD LYS 113 1HD LYS 113 8.203 5.613 -6.531 941 1HE LYS 113 2HE LYS 113 6.931 7.285 -8.692 942 2HE LYS 113 1HE LYS 113 8.534 7.576 -8.024 943 1HZ LYS 113 1HZ LYS 113 7.646 5.145 -9.488 944 2HZ LYS 113 2HZ LYS 113 9.164 5.335 -8.758 945 3HZ LYS 113 3HZ LYS 113 8.718 6.338 -10.045 946 H LEU 114 H LEU 114 4.533 2.847 -3.867 947 HA LEU 114 HA LEU 114 4.567 4.277 -1.452 948 1HB LEU 114 2HB LEU 114 3.088 1.991 -2.594 949 2HB LEU 114 1HB LEU 114 3.102 2.097 -0.853 950 HG LEU 114 HG LEU 114 2.185 4.397 -1.014 951 1HD1 LEU 114 1HD1 LEU 114 1.929 3.758 -3.946 952 2HD1 LEU 114 2HD1 LEU 114 3.040 4.935 -3.244 953 3HD1 LEU 114 3HD1 LEU 114 1.299 5.188 -3.130 954 1HD2 LEU 114 1HD2 LEU 114 -0.076 3.727 -1.697 955 2HD2 LEU 114 2HD2 LEU 114 0.685 2.524 -0.656 956 3HD2 LEU 114 3HD2 LEU 114 0.586 2.249 -2.395 957 H VAL 115 H VAL 115 5.882 1.127 -2.356 958 HA VAL 115 HA VAL 115 6.582 0.334 0.265 959 HB VAL 115 HB VAL 115 7.776 -0.513 -2.383 960 1HG1 VAL 115 1HG1 VAL 115 8.086 -1.780 0.340 961 2HG1 VAL 115 2HG1 VAL 115 9.347 -0.936 -0.560 962 3HG1 VAL 115 3HG1 VAL 115 8.679 -2.444 -1.181 963 1HG2 VAL 115 1HG2 VAL 115 6.404 -2.523 -2.079 964 2HG2 VAL 115 2HG2 VAL 115 5.419 -1.064 -2.172 965 3HG2 VAL 115 3HG2 VAL 115 5.721 -1.827 -0.609 966 H ILE 116 H ILE 116 8.492 1.877 -2.320 967 HA ILE 116 HA ILE 116 10.879 2.107 -0.869 968 HB ILE 116 HB ILE 116 9.816 3.957 -3.019 969 1HG1 ILE 116 2HG1 ILE 116 11.781 1.660 -3.207 970 2HG1 ILE 116 1HG1 ILE 116 10.085 1.567 -3.681 971 1HG2 ILE 116 1HG2 ILE 116 11.566 5.060 -1.724 972 2HG2 ILE 116 2HG2 ILE 116 12.160 4.643 -3.332 973 3HG2 ILE 116 3HG2 ILE 116 12.626 3.666 -1.939 974 1HD1 ILE 116 1HD1 ILE 116 12.171 3.360 -4.907 975 2HD1 ILE 116 2HD1 ILE 116 10.475 3.271 -5.384 976 3HD1 ILE 116 3HD1 ILE 116 11.528 1.875 -5.609 977 H PHE 117 H PHE 117 7.952 4.030 -0.827 978 HA PHE 117 HA PHE 117 9.023 6.308 0.469 979 1HB PHE 117 2HB PHE 117 6.401 5.298 -0.313 980 2HB PHE 117 1HB PHE 117 6.359 6.187 1.199 981 HD1 PHE 117 1HD PHE 117 6.967 8.563 1.261 982 HD2 PHE 117 2HD PHE 117 6.841 6.390 -2.399 983 HE1 PHE 117 1HE PHE 117 6.957 10.681 0.003 984 HE2 PHE 117 2HE PHE 117 6.838 8.501 -3.658 985 HZ PHE 117 HZ PHE 117 6.895 10.650 -2.458 986 H ALA 118 H ALA 118 7.293 3.449 1.662 987 HA ALA 118 HA ALA 118 7.387 4.212 4.391 988 1HB ALA 118 1HB ALA 118 6.687 1.915 4.854 989 2HB ALA 118 2HB ALA 118 7.031 1.473 3.182 990 3HB ALA 118 3HB ALA 118 5.744 2.623 3.541 991 H VAL 119 H VAL 119 9.378 2.037 2.409 992 HA VAL 119 HA VAL 119 11.009 1.120 4.527 993 HB VAL 119 HB VAL 119 11.527 1.191 1.550 994 1HG1 VAL 119 1HG1 VAL 119 13.276 -0.477 1.969 995 2HG1 VAL 119 2HG1 VAL 119 13.052 -0.266 3.705 996 3HG1 VAL 119 3HG1 VAL 119 13.650 1.073 2.724 997 1HG2 VAL 119 1HG2 VAL 119 10.986 -1.207 1.682 998 2HG2 VAL 119 2HG2 VAL 119 9.635 -0.184 2.170 999 3HG2 VAL 119 3HG2 VAL 119 10.601 -1.009 3.393 1000 H ASN 120 H ASN 120 11.336 3.843 2.290 1001 HA ASN 120 HA ASN 120 14.021 4.487 2.879 1002 1HB ASN 120 2HB ASN 120 12.399 5.349 0.995 1003 2HB ASN 120 1HB ASN 120 12.029 6.609 2.166 1004 1HD2 ASN 120 1HD2 ASN 120 15.153 5.059 1.756 1005 2HD2 ASN 120 2HD2 ASN 120 15.972 6.456 1.162 1006 H SER 121 H SER 121 10.980 5.369 4.378 1007 HA SER 121 HA SER 121 11.970 7.382 6.098 1008 1HB SER 121 2HB SER 121 9.570 7.090 5.531 1009 2HB SER 121 1HB SER 121 9.550 5.595 6.466 1010 HG SER 121 HG SER 121 9.053 7.982 7.357 1011 H LEU 122 H LEU 122 11.687 3.891 6.380 1012 HA LEU 122 HA LEU 122 12.390 3.847 9.158 1013 1HB LEU 122 2HB LEU 122 11.849 1.790 7.081 1014 2HB LEU 122 1HB LEU 122 12.761 1.310 8.499 1015 HG LEU 122 HG LEU 122 10.897 2.047 9.940 1016 1HD1 LEU 122 1HD1 LEU 122 9.445 2.535 7.346 1017 2HD1 LEU 122 2HD1 LEU 122 9.948 3.767 8.502 1018 3HD1 LEU 122 3HD1 LEU 122 8.728 2.577 8.957 1019 1HD2 LEU 122 1HD2 LEU 122 11.034 -0.274 9.244 1020 2HD2 LEU 122 2HD2 LEU 122 10.129 0.095 7.776 1021 3HD2 LEU 122 3HD2 LEU 122 9.349 0.241 9.351 1022 H GLU 123 H GLU 123 14.053 2.586 6.276 1023 HA GLU 123 HA GLU 123 16.214 1.887 6.000 1024 1HB GLU 123 2HB GLU 123 16.035 4.692 6.552 1025 2HB GLU 123 1HB GLU 123 17.580 4.074 7.123 1026 1HG GLU 123 2HG GLU 123 16.785 3.143 4.470 1027 2HG GLU 123 1HG GLU 123 17.074 4.871 4.603 1028 H HIS 124 H HIS 124 15.592 0.351 7.952 1029 HA HIS 124 HA HIS 124 16.571 0.960 10.518 1030 1HB HIS 124 2HB HIS 124 14.848 -0.817 9.871 1031 2HB HIS 124 1HB HIS 124 16.226 -1.849 9.496 1032 HD1 HIS 124 1HD HIS 124 14.557 -0.100 12.384 1033 HD2 HIS 124 2HD HIS 124 17.483 -2.977 11.698 1034 HE1 HIS 124 1HE HIS 124 15.078 -1.089 14.636 1035 HE2 HIS 124 2HE HIS 124 16.956 -2.718 14.223 1036 H HIS 125 H HIS 125 18.121 -0.576 7.755 1037 HA HIS 125 HA HIS 125 20.426 -1.341 9.323 1038 1HB HIS 125 2HB HIS 125 21.375 -2.221 7.308 1039 2HB HIS 125 1HB HIS 125 19.676 -2.662 7.320 1040 HD1 HIS 125 1HD HIS 125 22.238 -0.932 5.332 1041 HD2 HIS 125 2HD HIS 125 18.082 -1.143 5.447 1042 HE1 HIS 125 1HE HIS 125 21.444 -0.015 3.126 1043 HE2 HIS 125 2HE HIS 125 18.929 0.056 3.317 1044 H HIS 126 H HIS 126 19.481 1.247 7.190 1045 HA HIS 126 HA HIS 126 20.349 3.222 6.620 1046 1HB HIS 126 2HB HIS 126 21.679 2.739 9.238 1047 2HB HIS 126 1HB HIS 126 22.223 4.081 8.240 1048 HD1 HIS 126 1HD HIS 126 19.575 5.126 7.159 1049 HD2 HIS 126 2HD HIS 126 20.151 3.969 11.117 1050 HE1 HIS 126 1HE HIS 126 17.837 6.366 8.492 1051 HE2 HIS 126 2HE HIS 126 18.329 5.794 10.900 1052 H HIS 127 H HIS 127 21.468 3.528 4.871 1053 HA HIS 127 HA HIS 127 23.860 2.141 4.225 1054 1HB HIS 127 2HB HIS 127 22.385 3.188 2.517 1055 2HB HIS 127 1HB HIS 127 22.854 4.777 3.109 1056 HD1 HIS 127 1HD HIS 127 23.554 4.933 0.444 1057 HD2 HIS 127 2HD HIS 127 25.935 2.585 2.916 1058 HE1 HIS 127 1HE HIS 127 25.744 4.680 -0.763 1059 HE2 HIS 127 2HE HIS 127 27.242 3.480 0.874 1060 H HIS 128 H HIS 128 23.180 5.367 5.476 1061 HA HIS 128 HA HIS 128 24.284 6.682 6.946 1062 1HB HIS 128 2HB HIS 128 24.818 4.584 8.138 1063 2HB HIS 128 1HB HIS 128 26.272 4.414 7.163 1064 HD1 HIS 128 1HD HIS 128 28.255 6.014 7.693 1065 HD2 HIS 128 2HD HIS 128 24.991 6.396 10.245 1066 HE1 HIS 128 1HE HIS 128 29.081 7.340 9.663 1067 HE2 HIS 128 2HE HIS 128 27.155 7.356 11.287 1068 H HIS 129 H HIS 129 25.617 8.378 6.718 1069 HA HIS 129 HA HIS 129 28.063 8.067 5.160 1070 1HB HIS 129 2HB HIS 129 27.709 10.153 3.929 1071 2HB HIS 129 1HB HIS 129 26.453 8.986 3.552 1072 HD1 HIS 129 1HD HIS 129 26.997 12.228 5.412 1073 HD2 HIS 129 2HD HIS 129 23.878 9.816 4.091 1074 HE1 HIS 129 1HE HIS 129 24.913 13.607 5.684 1075 HE2 HIS 129 2HE HIS 129 23.092 12.222 4.626 Start of MODEL 18 1 1H MET 1 1HT MET 1 18.008 -0.167 16.445 2 2H MET 1 2HT MET 1 16.907 -1.444 16.606 3 3H MET 1 3HT MET 1 16.476 -0.058 15.727 4 HA MET 1 HA MET 1 18.147 -0.537 14.077 5 1HB MET 1 2HB MET 1 18.636 -2.956 15.823 6 2HB MET 1 1HB MET 1 19.194 -2.838 14.160 7 1HG MET 1 2HG MET 1 20.992 -2.308 15.643 8 2HG MET 1 1HG MET 1 20.514 -0.861 14.762 9 1HE MET 1 1HE MET 1 22.366 -0.833 17.336 10 2HE MET 1 2HE MET 1 21.681 0.524 18.230 11 3HE MET 1 3HE MET 1 21.889 0.634 16.480 12 H SER 2 H SER 2 16.631 -0.700 12.576 13 HA SER 2 HA SER 2 15.103 -3.175 12.392 14 1HB SER 2 2HB SER 2 13.748 -0.469 12.336 15 2HB SER 2 1HB SER 2 12.969 -2.044 12.204 16 HG SER 2 HG SER 2 12.767 -1.286 14.316 17 H ILE 3 H ILE 3 15.854 -3.814 10.457 18 HA ILE 3 HA ILE 3 15.407 -1.966 8.196 19 HB ILE 3 HB ILE 3 17.157 -3.081 6.940 20 1HG1 ILE 3 2HG1 ILE 3 17.490 -4.786 9.411 21 2HG1 ILE 3 1HG1 ILE 3 16.948 -5.327 7.831 22 1HG2 ILE 3 1HG2 ILE 3 18.098 -2.243 9.679 23 2HG2 ILE 3 2HG2 ILE 3 17.851 -1.196 8.280 24 3HG2 ILE 3 3HG2 ILE 3 19.130 -2.409 8.260 25 1HD1 ILE 3 1HD1 ILE 3 19.248 -5.972 8.241 26 2HD1 ILE 3 2HD1 ILE 3 19.692 -4.284 8.490 27 3HD1 ILE 3 3HD1 ILE 3 19.148 -4.828 6.902 28 H SER 4 H SER 4 14.938 -3.160 6.149 29 HA SER 4 HA SER 4 13.433 -4.387 4.974 30 1HB SER 4 2HB SER 4 15.028 -6.204 5.373 31 2HB SER 4 1HB SER 4 14.265 -6.559 6.920 32 HG SER 4 HG SER 4 13.149 -6.857 4.317 33 H THR 5 H THR 5 11.744 -3.036 5.700 34 HA THR 5 HA THR 5 10.280 -3.677 8.081 35 HB THR 5 HB THR 5 8.700 -1.871 7.058 36 HG1 THR 5 1HG THR 5 11.056 -1.207 5.613 37 1HG2 THR 5 1HG2 THR 5 11.538 -1.221 7.865 38 2HG2 THR 5 2HG2 THR 5 10.186 -1.487 8.965 39 3HG2 THR 5 3HG2 THR 5 10.181 -0.094 7.883 40 H SER 6 H SER 6 7.742 -3.572 7.753 41 HA SER 6 HA SER 6 6.935 -6.031 6.754 42 1HB SER 6 2HB SER 6 5.126 -3.634 7.078 43 2HB SER 6 1HB SER 6 4.707 -5.339 7.263 44 HG SER 6 HG SER 6 6.649 -4.970 8.948 45 H ALA 7 H ALA 7 6.994 -2.871 5.220 46 HA ALA 7 HA ALA 7 5.437 -3.473 2.959 47 1HB ALA 7 1HB ALA 7 6.035 -1.187 3.613 48 2HB ALA 7 2HB ALA 7 6.482 -1.522 1.940 49 3HB ALA 7 3HB ALA 7 7.718 -1.514 3.197 50 H GLU 8 H GLU 8 8.937 -3.701 3.529 51 HA GLU 8 HA GLU 8 9.761 -4.646 1.056 52 1HB GLU 8 2HB GLU 8 10.944 -3.949 3.342 53 2HB GLU 8 1HB GLU 8 10.965 -5.689 3.575 54 1HG GLU 8 2HG GLU 8 12.009 -4.459 1.071 55 2HG GLU 8 1HG GLU 8 12.975 -4.519 2.538 56 H VAL 9 H VAL 9 8.689 -6.377 3.944 57 HA VAL 9 HA VAL 9 9.052 -8.989 3.033 58 HB VAL 9 HB VAL 9 7.019 -7.957 5.025 59 1HG1 VAL 9 1HG1 VAL 9 7.031 -10.266 5.903 60 2HG1 VAL 9 2HG1 VAL 9 8.026 -10.759 4.532 61 3HG1 VAL 9 3HG1 VAL 9 6.388 -10.165 4.264 62 1HG2 VAL 9 1HG2 VAL 9 9.801 -9.059 5.399 63 2HG2 VAL 9 2HG2 VAL 9 8.680 -8.661 6.699 64 3HG2 VAL 9 3HG2 VAL 9 9.292 -7.389 5.640 65 H TYR 10 H TYR 10 6.068 -7.017 3.011 66 HA TYR 10 HA TYR 10 4.532 -9.025 1.723 67 1HB TYR 10 2HB TYR 10 4.090 -6.127 2.326 68 2HB TYR 10 1HB TYR 10 2.984 -6.970 1.242 69 HD1 TYR 10 1HD TYR 10 1.642 -8.864 2.070 70 HD2 TYR 10 2HD TYR 10 4.071 -6.553 4.687 71 HE1 TYR 10 1HE TYR 10 0.418 -9.774 3.996 72 HE2 TYR 10 2HE TYR 10 2.855 -7.459 6.623 73 HH TYR 10 HH TYR 10 0.806 -10.137 6.416 74 H TYR 11 H TYR 11 6.501 -6.380 0.501 75 HA TYR 11 HA TYR 11 5.537 -6.470 -2.157 76 1HB TYR 11 2HB TYR 11 6.886 -4.587 -1.374 77 2HB TYR 11 1HB TYR 11 8.270 -5.653 -1.139 78 HD1 TYR 11 2HD TYR 11 5.943 -4.407 -3.772 79 HD2 TYR 11 1HD TYR 11 9.791 -5.997 -2.881 80 HE1 TYR 11 2HE TYR 11 6.626 -4.056 -6.110 81 HE2 TYR 11 1HE TYR 11 10.478 -5.656 -5.214 82 HH TYR 11 HH TYR 11 9.334 -5.495 -7.449 83 H GLU 12 H GLU 12 8.048 -8.232 -0.445 84 HA GLU 12 HA GLU 12 9.125 -9.615 -2.650 85 1HB GLU 12 2HB GLU 12 10.223 -9.436 -0.449 86 2HB GLU 12 1HB GLU 12 8.967 -10.440 0.256 87 1HG GLU 12 2HG GLU 12 9.664 -12.326 -1.041 88 2HG GLU 12 1HG GLU 12 10.827 -11.338 -1.926 89 H GLU 13 H GLU 13 6.428 -10.330 -0.464 90 HA GLU 13 HA GLU 13 5.794 -12.877 -1.500 91 1HB GLU 13 2HB GLU 13 4.003 -10.787 -0.248 92 2HB GLU 13 1HB GLU 13 3.509 -12.438 -0.589 93 1HG GLU 13 2HG GLU 13 5.291 -13.239 0.928 94 2HG GLU 13 1HG GLU 13 5.660 -11.558 1.320 95 H ALA 14 H ALA 14 4.732 -9.624 -2.406 96 HA ALA 14 HA ALA 14 2.914 -10.333 -4.416 97 1HB ALA 14 1HB ALA 14 3.255 -8.063 -5.273 98 2HB ALA 14 2HB ALA 14 4.676 -7.890 -4.242 99 3HB ALA 14 3HB ALA 14 3.078 -8.067 -3.517 100 H GLU 15 H GLU 15 6.387 -9.638 -4.593 101 HA GLU 15 HA GLU 15 6.712 -10.115 -7.343 102 1HB GLU 15 2HB GLU 15 8.616 -10.294 -5.012 103 2HB GLU 15 1HB GLU 15 9.130 -10.545 -6.671 104 1HG GLU 15 2HG GLU 15 7.729 -8.047 -5.780 105 2HG GLU 15 1HG GLU 15 9.478 -8.237 -5.692 106 H GLU 16 H GLU 16 6.825 -12.262 -4.544 107 HA GLU 16 HA GLU 16 7.779 -14.555 -5.787 108 1HB GLU 16 2HB GLU 16 6.288 -13.922 -3.327 109 2HB GLU 16 1HB GLU 16 6.211 -15.584 -3.864 110 1HG GLU 16 2HG GLU 16 8.705 -14.015 -3.278 111 2HG GLU 16 1HG GLU 16 8.000 -15.273 -2.264 112 H PHE 17 H PHE 17 4.430 -13.574 -5.199 113 HA PHE 17 HA PHE 17 3.344 -15.830 -6.545 114 1HB PHE 17 2HB PHE 17 2.111 -13.225 -5.665 115 2HB PHE 17 1HB PHE 17 1.190 -14.480 -6.487 116 HD1 PHE 17 1HD PHE 17 1.385 -16.873 -5.416 117 HD2 PHE 17 2HD PHE 17 2.172 -13.229 -3.361 118 HE1 PHE 17 1HE PHE 17 0.989 -18.002 -3.267 119 HE2 PHE 17 2HE PHE 17 1.789 -14.358 -1.210 120 HZ PHE 17 HZ PHE 17 1.195 -16.745 -1.160 121 H LEU 18 H LEU 18 4.094 -12.541 -7.562 122 HA LEU 18 HA LEU 18 2.824 -12.670 -10.086 123 1HB LEU 18 2HB LEU 18 3.597 -10.562 -9.091 124 2HB LEU 18 1HB LEU 18 5.263 -11.087 -9.255 125 HG LEU 18 HG LEU 18 4.946 -11.140 -11.732 126 1HD1 LEU 18 1HD1 LEU 18 3.021 -9.993 -12.688 127 2HD1 LEU 18 2HD1 LEU 18 2.331 -9.794 -11.076 128 3HD1 LEU 18 3HD1 LEU 18 2.521 -11.408 -11.759 129 1HD2 LEU 18 1HD2 LEU 18 5.024 -8.710 -12.020 130 2HD2 LEU 18 2HD2 LEU 18 5.997 -9.230 -10.644 131 3HD2 LEU 18 3HD2 LEU 18 4.414 -8.498 -10.379 132 H SER 19 H SER 19 5.936 -13.745 -8.910 133 HA SER 19 HA SER 19 6.846 -14.432 -11.587 134 1HB SER 19 2HB SER 19 8.208 -14.960 -8.935 135 2HB SER 19 1HB SER 19 8.942 -15.010 -10.538 136 HG SER 19 HG SER 19 8.097 -12.793 -9.022 137 H LYS 20 H LYS 20 4.778 -15.777 -9.470 138 HA LYS 20 HA LYS 20 5.673 -18.523 -9.749 139 1HB LYS 20 2HB LYS 20 4.536 -17.584 -7.665 140 2HB LYS 20 1HB LYS 20 3.045 -17.586 -8.596 141 1HG LYS 20 2HG LYS 20 3.154 -19.574 -7.252 142 2HG LYS 20 1HG LYS 20 3.304 -20.011 -8.957 143 1HD LYS 20 2HD LYS 20 5.829 -19.931 -8.574 144 2HD LYS 20 1HD LYS 20 5.450 -19.916 -6.851 145 1HE LYS 20 2HE LYS 20 5.888 -22.179 -7.541 146 2HE LYS 20 1HE LYS 20 4.173 -22.013 -7.161 147 1HZ LYS 20 1HZ LYS 20 5.350 -21.967 -9.893 148 2HZ LYS 20 2HZ LYS 20 3.698 -21.826 -9.522 149 3HZ LYS 20 3HZ LYS 20 4.518 -23.271 -9.198 150 H GLY 21 H GLY 21 3.496 -16.280 -11.235 151 1HA GLY 21 2HA GLY 21 3.050 -16.739 -13.599 152 2HA GLY 21 1HA GLY 21 2.740 -18.407 -13.139 153 H ASP 22 H ASP 22 1.468 -16.319 -10.831 154 HA ASP 22 HA ASP 22 -1.135 -16.280 -12.195 155 1HB ASP 22 2HB ASP 22 -1.132 -18.119 -10.574 156 2HB ASP 22 1HB ASP 22 -0.675 -16.998 -9.294 157 H LEU 23 H LEU 23 -1.963 -14.350 -12.336 158 HA LEU 23 HA LEU 23 -0.733 -12.113 -11.049 159 1HB LEU 23 2HB LEU 23 -3.248 -12.228 -12.713 160 2HB LEU 23 1HB LEU 23 -2.361 -10.776 -12.284 161 HG LEU 23 HG LEU 23 -1.302 -13.007 -14.021 162 1HD1 LEU 23 1HD1 LEU 23 -2.244 -10.241 -14.767 163 2HD1 LEU 23 2HD1 LEU 23 -3.113 -11.742 -15.082 164 3HD1 LEU 23 3HD1 LEU 23 -1.560 -11.445 -15.860 165 1HD2 LEU 23 1HD2 LEU 23 0.526 -11.449 -14.500 166 2HD2 LEU 23 2HD2 LEU 23 0.462 -11.870 -12.789 167 3HD2 LEU 23 3HD2 LEU 23 -0.144 -10.306 -13.334 168 H VAL 24 H VAL 24 -3.564 -14.053 -10.456 169 HA VAL 24 HA VAL 24 -5.129 -12.115 -9.123 170 HB VAL 24 HB VAL 24 -5.249 -15.100 -8.679 171 1HG1 VAL 24 1HG1 VAL 24 -7.596 -14.686 -8.185 172 2HG1 VAL 24 2HG1 VAL 24 -7.366 -12.961 -8.476 173 3HG1 VAL 24 3HG1 VAL 24 -6.559 -13.743 -7.115 174 1HG2 VAL 24 1HG2 VAL 24 -5.281 -14.633 -11.074 175 2HG2 VAL 24 2HG2 VAL 24 -6.572 -13.458 -10.838 176 3HG2 VAL 24 3HG2 VAL 24 -6.868 -15.168 -10.522 177 H GLN 25 H GLN 25 -3.127 -14.760 -7.828 178 HA GLN 25 HA GLN 25 -3.418 -14.099 -5.115 179 1HB GLN 25 2HB GLN 25 -1.163 -15.519 -6.537 180 2HB GLN 25 1HB GLN 25 -1.355 -15.459 -4.789 181 1HG GLN 25 2HG GLN 25 -3.411 -16.673 -4.911 182 2HG GLN 25 1HG GLN 25 -3.411 -16.584 -6.671 183 1HE2 GLN 25 1HE2 GLN 25 -2.003 -17.867 -7.838 184 2HE2 GLN 25 2HE2 GLN 25 -1.209 -19.240 -7.146 185 H ALA 26 H ALA 26 -1.387 -12.741 -7.574 186 HA ALA 26 HA ALA 26 0.389 -11.398 -5.763 187 1HB ALA 26 1HB ALA 26 1.086 -12.008 -8.032 188 2HB ALA 26 2HB ALA 26 1.240 -10.275 -7.740 189 3HB ALA 26 3HB ALA 26 -0.112 -10.890 -8.691 190 H CYS 27 H CYS 27 -2.598 -10.603 -7.443 191 HA CYS 27 HA CYS 27 -2.509 -7.817 -7.210 192 1HB CYS 27 2HB CYS 27 -4.903 -9.661 -7.296 193 2HB CYS 27 1HB CYS 27 -4.984 -7.912 -7.478 194 HG CYS 27 HG CYS 27 -3.173 -9.904 -9.591 195 H GLU 28 H GLU 28 -3.719 -10.249 -4.941 196 HA GLU 28 HA GLU 28 -4.855 -8.392 -3.123 197 1HB GLU 28 2HB GLU 28 -4.816 -10.270 -1.502 198 2HB GLU 28 1HB GLU 28 -5.539 -10.703 -3.045 199 1HG GLU 28 2HG GLU 28 -3.635 -11.934 -3.699 200 2HG GLU 28 1HG GLU 28 -2.672 -11.279 -2.376 201 H LYS 29 H LYS 29 -1.635 -9.680 -3.541 202 HA LYS 29 HA LYS 29 -0.667 -8.779 -1.006 203 1HB LYS 29 2HB LYS 29 0.743 -9.757 -3.487 204 2HB LYS 29 1HB LYS 29 1.595 -9.274 -2.028 205 1HG LYS 29 2HG LYS 29 -0.372 -11.532 -2.317 206 2HG LYS 29 1HG LYS 29 1.365 -11.653 -2.027 207 1HD LYS 29 2HD LYS 29 1.045 -10.475 0.124 208 2HD LYS 29 1HD LYS 29 -0.696 -10.489 -0.159 209 1HE LYS 29 2HE LYS 29 1.099 -12.889 0.156 210 2HE LYS 29 1HE LYS 29 -0.076 -12.296 1.326 211 1HZ LYS 29 1HZ LYS 29 -0.984 -14.152 0.143 212 2HZ LYS 29 2HZ LYS 29 -0.673 -13.424 -1.352 213 3HZ LYS 29 3HZ LYS 29 -1.837 -12.761 -0.319 214 H TYR 30 H TYR 30 -0.878 -7.415 -4.222 215 HA TYR 30 HA TYR 30 0.811 -5.198 -3.836 216 1HB TYR 30 2HB TYR 30 -1.712 -5.404 -5.496 217 2HB TYR 30 1HB TYR 30 -0.552 -4.082 -5.592 218 HD1 TYR 30 2HD TYR 30 1.982 -5.725 -5.390 219 HD2 TYR 30 1HD TYR 30 -1.564 -6.268 -7.675 220 HE1 TYR 30 2HE TYR 30 3.259 -6.994 -7.062 221 HE2 TYR 30 1HE TYR 30 -0.292 -7.533 -9.356 222 HH TYR 30 HH TYR 30 2.836 -8.688 -8.802 223 H TYR 31 H TYR 31 -2.634 -5.668 -3.199 224 HA TYR 31 HA TYR 31 -3.154 -3.099 -2.172 225 1HB TYR 31 2HB TYR 31 -4.938 -4.658 -2.863 226 2HB TYR 31 1HB TYR 31 -4.533 -5.716 -1.516 227 HD1 TYR 31 1HD TYR 31 -6.006 -2.466 -2.443 228 HD2 TYR 31 2HD TYR 31 -5.261 -5.217 0.719 229 HE1 TYR 31 1HE TYR 31 -7.569 -1.232 -1.002 230 HE2 TYR 31 2HE TYR 31 -6.822 -3.988 2.164 231 HH TYR 31 HH TYR 31 -7.747 -1.692 2.332 232 H LYS 32 H LYS 32 -2.167 -6.123 -0.617 233 HA LYS 32 HA LYS 32 -2.221 -5.196 2.026 234 1HB LYS 32 2HB LYS 32 -0.929 -7.454 0.607 235 2HB LYS 32 1HB LYS 32 -0.263 -7.020 2.173 236 1HG LYS 32 2HG LYS 32 -3.199 -7.509 1.803 237 2HG LYS 32 1HG LYS 32 -2.064 -8.827 2.095 238 1HD LYS 32 2HD LYS 32 -2.961 -8.213 4.211 239 2HD LYS 32 1HD LYS 32 -1.314 -7.585 4.157 240 1HE LYS 32 2HE LYS 32 -2.260 -5.373 3.490 241 2HE LYS 32 1HE LYS 32 -3.872 -6.038 3.747 242 1HZ LYS 32 1HZ LYS 32 -3.244 -6.470 6.068 243 2HZ LYS 32 2HZ LYS 32 -3.167 -4.824 5.681 244 3HZ LYS 32 3HZ LYS 32 -1.740 -5.732 5.799 245 H ALA 33 H ALA 33 0.529 -5.361 -0.245 246 HA ALA 33 HA ALA 33 2.454 -4.260 1.448 247 1HB ALA 33 1HB ALA 33 3.728 -3.764 -0.565 248 2HB ALA 33 2HB ALA 33 2.282 -3.985 -1.550 249 3HB ALA 33 3HB ALA 33 2.973 -5.355 -0.683 250 H ALA 34 H ALA 34 0.193 -2.679 -0.762 251 HA ALA 34 HA ALA 34 1.121 -0.047 -0.359 252 1HB ALA 34 1HB ALA 34 -1.013 0.648 -1.333 253 2HB ALA 34 2HB ALA 34 -1.619 -1.000 -1.165 254 3HB ALA 34 3HB ALA 34 -0.274 -0.662 -2.254 255 H GLU 35 H GLU 35 -1.520 -1.890 1.171 256 HA GLU 35 HA GLU 35 -2.438 0.118 2.868 257 1HB GLU 35 2HB GLU 35 -3.626 -1.994 2.378 258 2HB GLU 35 1HB GLU 35 -2.435 -2.866 3.338 259 1HG GLU 35 2HG GLU 35 -3.257 -0.954 5.077 260 2HG GLU 35 1HG GLU 35 -4.728 -1.276 4.163 261 H GLU 36 H GLU 36 0.161 -2.250 3.262 262 HA GLU 36 HA GLU 36 0.740 -1.674 5.963 263 1HB GLU 36 2HB GLU 36 2.617 -2.622 3.787 264 2HB GLU 36 1HB GLU 36 2.969 -2.645 5.508 265 1HG GLU 36 2HG GLU 36 0.943 -4.271 4.006 266 2HG GLU 36 1HG GLU 36 2.357 -4.838 4.890 267 H ALA 37 H ALA 37 1.970 -0.356 2.932 268 HA ALA 37 HA ALA 37 3.834 1.429 4.002 269 1HB ALA 37 1HB ALA 37 3.643 2.622 1.877 270 2HB ALA 37 2HB ALA 37 2.172 1.727 1.501 271 3HB ALA 37 3HB ALA 37 3.712 0.878 1.624 272 H ILE 38 H ILE 38 0.374 1.856 3.333 273 HA ILE 38 HA ILE 38 0.194 4.586 3.842 274 HB ILE 38 HB ILE 38 -1.899 2.463 4.340 275 1HG1 ILE 38 2HG1 ILE 38 -1.147 2.499 2.024 276 2HG1 ILE 38 1HG1 ILE 38 -2.766 3.182 2.131 277 1HG2 ILE 38 1HG2 ILE 38 -2.425 4.512 5.551 278 2HG2 ILE 38 2HG2 ILE 38 -3.531 4.283 4.197 279 3HG2 ILE 38 3HG2 ILE 38 -2.214 5.451 4.073 280 1HD1 ILE 38 1HD1 ILE 38 -1.357 4.447 0.604 281 2HD1 ILE 38 2HD1 ILE 38 -0.209 4.752 1.908 282 3HD1 ILE 38 3HD1 ILE 38 -1.837 5.427 1.990 283 H LYS 39 H LYS 39 -0.238 1.879 6.150 284 HA LYS 39 HA LYS 39 -0.889 3.573 8.319 285 1HB LYS 39 2HB LYS 39 -0.533 1.634 9.765 286 2HB LYS 39 1HB LYS 39 -1.490 1.211 8.357 287 1HG LYS 39 2HG LYS 39 0.408 0.142 7.335 288 2HG LYS 39 1HG LYS 39 1.453 0.673 8.653 289 1HD LYS 39 2HD LYS 39 0.881 -1.624 9.031 290 2HD LYS 39 1HD LYS 39 0.027 -0.643 10.222 291 1HE LYS 39 2HE LYS 39 -1.472 -2.316 9.380 292 2HE LYS 39 1HE LYS 39 -1.988 -0.742 8.776 293 1HZ LYS 39 1HZ LYS 39 -2.049 -2.474 7.058 294 2HZ LYS 39 2HZ LYS 39 -0.376 -2.718 7.246 295 3HZ LYS 39 3HZ LYS 39 -0.958 -1.236 6.665 296 H LEU 40 H LEU 40 2.197 2.194 7.238 297 HA LEU 40 HA LEU 40 3.843 3.167 9.244 298 1HB LEU 40 2HB LEU 40 4.160 2.376 6.412 299 2HB LEU 40 1HB LEU 40 5.462 3.313 7.104 300 HG LEU 40 HG LEU 40 5.637 1.616 8.900 301 1HD1 LEU 40 1HD1 LEU 40 4.604 -0.560 8.618 302 2HD1 LEU 40 2HD1 LEU 40 3.722 0.044 7.215 303 3HD1 LEU 40 3HD1 LEU 40 3.391 0.708 8.816 304 1HD2 LEU 40 1HD2 LEU 40 6.751 -0.073 7.529 305 2HD2 LEU 40 2HD2 LEU 40 7.130 1.562 6.983 306 3HD2 LEU 40 3HD2 LEU 40 5.959 0.584 6.098 307 H LEU 41 H LEU 41 2.875 4.734 6.192 308 HA LEU 41 HA LEU 41 4.354 7.101 6.604 309 1HB LEU 41 2HB LEU 41 2.124 6.294 4.816 310 2HB LEU 41 1HB LEU 41 2.432 8.007 5.004 311 HG LEU 41 HG LEU 41 4.763 7.648 4.241 312 1HD1 LEU 41 1HD1 LEU 41 3.853 4.836 3.693 313 2HD1 LEU 41 2HD1 LEU 41 5.035 5.330 4.905 314 3HD1 LEU 41 3HD1 LEU 41 5.386 5.553 3.190 315 1HD2 LEU 41 1HD2 LEU 41 3.053 8.344 2.671 316 2HD2 LEU 41 2HD2 LEU 41 2.618 6.660 2.374 317 3HD2 LEU 41 3HD2 LEU 41 4.206 7.258 1.892 318 H VAL 42 H VAL 42 1.060 6.202 7.481 319 HA VAL 42 HA VAL 42 0.054 8.645 8.309 320 HB VAL 42 HB VAL 42 -0.414 5.888 9.457 321 1HG1 VAL 42 1HG1 VAL 42 -1.955 8.419 10.046 322 2HG1 VAL 42 2HG1 VAL 42 -0.933 7.545 11.187 323 3HG1 VAL 42 3HG1 VAL 42 -2.403 6.794 10.562 324 1HG2 VAL 42 1HG2 VAL 42 -2.545 6.067 8.237 325 2HG2 VAL 42 2HG2 VAL 42 -1.149 6.174 7.165 326 3HG2 VAL 42 3HG2 VAL 42 -2.034 7.633 7.607 327 H ILE 43 H ILE 43 1.998 6.329 10.158 328 HA ILE 43 HA ILE 43 1.933 7.706 12.599 329 HB ILE 43 HB ILE 43 4.072 5.839 11.569 330 1HG1 ILE 43 2HG1 ILE 43 1.757 4.901 11.515 331 2HG1 ILE 43 1HG1 ILE 43 2.818 4.062 12.638 332 1HG2 ILE 43 1HG2 ILE 43 3.353 6.640 14.385 333 2HG2 ILE 43 2HG2 ILE 43 4.814 7.103 13.512 334 3HG2 ILE 43 3HG2 ILE 43 4.539 5.414 13.942 335 1HD1 ILE 43 1HD1 ILE 43 0.730 6.109 13.351 336 2HD1 ILE 43 2HD1 ILE 43 1.807 5.302 14.492 337 3HD1 ILE 43 3HD1 ILE 43 0.618 4.365 13.588 338 H GLU 44 H GLU 44 4.416 7.748 10.013 339 HA GLU 44 HA GLU 44 6.208 9.453 11.287 340 1HB GLU 44 2HB GLU 44 6.735 8.075 9.315 341 2HB GLU 44 1HB GLU 44 5.692 9.096 8.331 342 1HG GLU 44 2HG GLU 44 7.123 11.016 8.962 343 2HG GLU 44 1HG GLU 44 8.221 9.873 9.718 344 H ASN 45 H ASN 45 3.418 10.108 9.246 345 HA ASN 45 HA ASN 45 4.005 12.920 9.035 346 1HB ASN 45 2HB ASN 45 1.738 11.178 8.120 347 2HB ASN 45 1HB ASN 45 1.623 12.933 8.029 348 1HD2 ASN 45 1HD2 ASN 45 3.232 10.090 6.811 349 2HD2 ASN 45 2HD2 ASN 45 3.945 10.855 5.431 350 H ASN 46 H ASN 46 3.086 11.262 11.604 351 HA ASN 46 HA ASN 46 2.184 11.807 13.615 352 1HB ASN 46 2HB ASN 46 3.478 13.940 13.122 353 2HB ASN 46 1HB ASN 46 1.963 14.633 12.568 354 1HD2 ASN 46 1HD2 ASN 46 1.815 16.194 14.122 355 2HD2 ASN 46 2HD2 ASN 46 1.570 15.841 15.801 356 H LEU 47 H LEU 47 0.508 11.049 11.314 357 HA LEU 47 HA LEU 47 -1.929 12.563 11.558 358 1HB LEU 47 2HB LEU 47 -1.230 10.068 10.029 359 2HB LEU 47 1HB LEU 47 -2.824 10.792 10.009 360 HG LEU 47 HG LEU 47 -0.276 12.055 9.006 361 1HD1 LEU 47 1HD1 LEU 47 -1.314 11.872 6.823 362 2HD1 LEU 47 2HD1 LEU 47 -2.736 11.119 7.542 363 3HD1 LEU 47 3HD1 LEU 47 -1.184 10.283 7.575 364 1HD2 LEU 47 1HD2 LEU 47 -1.716 13.882 8.235 365 2HD2 LEU 47 2HD2 LEU 47 -1.740 13.734 9.992 366 3HD2 LEU 47 3HD2 LEU 47 -3.094 13.130 9.038 367 H LYS 48 H LYS 48 -1.409 11.776 14.021 368 HA LYS 48 HA LYS 48 -2.409 9.333 14.898 369 1HB LYS 48 2HB LYS 48 -2.369 12.054 16.205 370 2HB LYS 48 1HB LYS 48 -2.715 10.555 17.039 371 1HG LYS 48 2HG LYS 48 -0.510 9.733 16.656 372 2HG LYS 48 1HG LYS 48 -0.145 11.087 15.583 373 1HD LYS 48 2HD LYS 48 -0.355 12.637 17.448 374 2HD LYS 48 1HD LYS 48 -0.768 11.304 18.527 375 1HE LYS 48 2HE LYS 48 1.825 11.528 17.008 376 2HE LYS 48 1HE LYS 48 1.607 12.047 18.678 377 1HZ LYS 48 1HZ LYS 48 0.944 9.735 19.203 378 2HZ LYS 48 2HZ LYS 48 2.549 9.878 18.676 379 3HZ LYS 48 3HZ LYS 48 1.363 9.278 17.623 380 H GLU 49 H GLU 49 -3.961 12.162 13.724 381 HA GLU 49 HA GLU 49 -6.472 12.138 14.799 382 1HB GLU 49 2HB GLU 49 -5.894 12.553 11.873 383 2HB GLU 49 1HB GLU 49 -7.203 13.250 12.808 384 1HG GLU 49 2HG GLU 49 -4.280 13.859 13.169 385 2HG GLU 49 1HG GLU 49 -5.449 14.876 12.332 386 H ILE 50 H ILE 50 -5.220 10.137 12.162 387 HA ILE 50 HA ILE 50 -7.779 8.883 11.720 388 HB ILE 50 HB ILE 50 -5.051 8.397 10.517 389 1HG1 ILE 50 2HG1 ILE 50 -6.337 9.049 8.409 390 2HG1 ILE 50 1HG1 ILE 50 -7.632 9.569 9.480 391 1HG2 ILE 50 1HG2 ILE 50 -7.610 6.919 9.922 392 2HG2 ILE 50 2HG2 ILE 50 -6.155 6.246 10.656 393 3HG2 ILE 50 3HG2 ILE 50 -6.122 6.800 8.982 394 1HD1 ILE 50 1HD1 ILE 50 -6.263 11.438 8.787 395 2HD1 ILE 50 2HD1 ILE 50 -4.826 10.650 9.441 396 3HD1 ILE 50 3HD1 ILE 50 -6.118 11.172 10.523 397 H THR 51 H THR 51 -4.603 7.842 12.998 398 HA THR 51 HA THR 51 -5.367 5.160 13.364 399 HB THR 51 HB THR 51 -3.010 5.855 13.238 400 HG1 THR 51 1HG THR 51 -2.710 4.699 15.607 401 1HG2 THR 51 1HG2 THR 51 -1.892 6.772 15.218 402 2HG2 THR 51 2HG2 THR 51 -3.455 6.941 16.018 403 3HG2 THR 51 3HG2 THR 51 -3.095 7.886 14.573 404 H ASN 52 H ASN 52 -5.785 7.981 15.392 405 HA ASN 52 HA ASN 52 -6.469 6.583 17.775 406 1HB ASN 52 2HB ASN 52 -6.996 9.378 16.795 407 2HB ASN 52 1HB ASN 52 -7.677 8.799 18.310 408 1HD2 ASN 52 1HD2 ASN 52 -6.498 10.363 19.425 409 2HD2 ASN 52 2HD2 ASN 52 -4.797 10.204 19.697 410 H ASN 53 H ASN 53 -8.225 7.464 14.891 411 HA ASN 53 HA ASN 53 -10.791 6.805 16.012 412 1HB ASN 53 2HB ASN 53 -9.819 7.558 13.270 413 2HB ASN 53 1HB ASN 53 -11.453 6.979 13.532 414 1HD2 ASN 53 1HD2 ASN 53 -10.565 9.580 12.616 415 2HD2 ASN 53 2HD2 ASN 53 -11.179 10.740 13.743 416 H VAL 54 H VAL 54 -8.221 5.227 14.346 417 HA VAL 54 HA VAL 54 -9.753 2.890 13.638 418 HB VAL 54 HB VAL 54 -6.746 3.248 13.729 419 1HG1 VAL 54 1HG1 VAL 54 -7.381 0.909 13.713 420 2HG1 VAL 54 2HG1 VAL 54 -6.689 1.363 12.156 421 3HG1 VAL 54 3HG1 VAL 54 -8.435 1.179 12.325 422 1HG2 VAL 54 1HG2 VAL 54 -7.740 4.880 12.240 423 2HG2 VAL 54 2HG2 VAL 54 -8.665 3.616 11.429 424 3HG2 VAL 54 3HG2 VAL 54 -6.905 3.639 11.305 425 H LYS 55 H LYS 55 -8.305 4.103 16.448 426 HA LYS 55 HA LYS 55 -7.388 1.851 17.789 427 1HB LYS 55 2HB LYS 55 -8.363 4.547 18.531 428 2HB LYS 55 1HB LYS 55 -8.298 3.352 19.809 429 1HG LYS 55 2HG LYS 55 -5.966 4.023 18.038 430 2HG LYS 55 1HG LYS 55 -6.268 4.790 19.600 431 1HD LYS 55 2HD LYS 55 -5.853 1.835 19.137 432 2HD LYS 55 1HD LYS 55 -4.659 2.953 19.798 433 1HE LYS 55 2HE LYS 55 -6.140 3.417 21.686 434 2HE LYS 55 1HE LYS 55 -7.336 2.305 21.024 435 1HZ LYS 55 1HZ LYS 55 -5.741 0.506 21.274 436 2HZ LYS 55 2HZ LYS 55 -6.044 1.264 22.760 437 3HZ LYS 55 3HZ LYS 55 -4.603 1.582 21.926 438 H ASN 56 H ASN 56 -10.587 2.780 17.007 439 HA ASN 56 HA ASN 56 -12.016 1.384 19.006 440 1HB ASN 56 2HB ASN 56 -13.125 3.011 17.590 441 2HB ASN 56 1HB ASN 56 -12.740 2.079 16.151 442 1HD2 ASN 56 1HD2 ASN 56 -13.962 0.313 15.625 443 2HD2 ASN 56 2HD2 ASN 56 -15.443 -0.088 16.422 444 H LYS 57 H LYS 57 -10.704 0.467 15.892 445 HA LYS 57 HA LYS 57 -11.579 -2.286 16.221 446 1HB LYS 57 2HB LYS 57 -10.577 -0.615 13.944 447 2HB LYS 57 1HB LYS 57 -10.535 -2.358 13.847 448 1HG LYS 57 2HG LYS 57 -13.007 -0.731 14.358 449 2HG LYS 57 1HG LYS 57 -12.529 -1.378 12.788 450 1HD LYS 57 2HD LYS 57 -12.631 -3.652 13.707 451 2HD LYS 57 1HD LYS 57 -13.135 -2.992 15.264 452 1HE LYS 57 2HE LYS 57 -15.135 -2.047 14.197 453 2HE LYS 57 1HE LYS 57 -14.633 -2.744 12.657 454 1HZ LYS 57 1HZ LYS 57 -15.186 -4.331 15.108 455 2HZ LYS 57 2HZ LYS 57 -14.879 -4.935 13.551 456 3HZ LYS 57 3HZ LYS 57 -16.307 -4.076 13.862 457 H GLY 58 H GLY 58 -9.840 -3.858 15.239 458 1HA GLY 58 2HA GLY 58 -7.312 -3.322 16.654 459 2HA GLY 58 1HA GLY 58 -7.915 -4.913 16.201 460 H ARG 59 H ARG 59 -8.706 -3.598 13.554 461 HA ARG 59 HA ARG 59 -6.041 -3.518 12.330 462 1HB ARG 59 2HB ARG 59 -7.284 -5.676 11.918 463 2HB ARG 59 1HB ARG 59 -8.523 -4.738 11.097 464 1HG ARG 59 2HG ARG 59 -6.936 -4.050 9.411 465 2HG ARG 59 1HG ARG 59 -5.630 -4.873 10.267 466 1HD ARG 59 2HD ARG 59 -8.055 -6.157 9.014 467 2HD ARG 59 1HD ARG 59 -6.399 -6.235 8.414 468 HE ARG 59 HE ARG 59 -7.146 -7.356 11.035 469 1HH1 ARG 59 1HH1 ARG 59 -5.690 -7.702 7.874 470 2HH1 ARG 59 2HH1 ARG 59 -5.049 -9.289 8.202 471 1HH2 ARG 59 1HH2 ARG 59 -6.313 -9.426 11.480 472 2HH2 ARG 59 2HH2 ARG 59 -5.367 -10.246 10.268 473 H TRP 60 H TRP 60 -5.932 -2.219 10.420 474 HA TRP 60 HA TRP 60 -7.257 0.244 10.734 475 1HB TRP 60 2HB TRP 60 -5.505 -0.838 8.535 476 2HB TRP 60 1HB TRP 60 -6.172 0.791 8.496 477 HD1 TRP 60 HD TRP 60 -3.869 -1.373 10.738 478 HE1 TRP 60 1HE TRP 60 -2.187 0.189 11.909 479 HE3 TRP 60 3HE TRP 60 -5.668 3.116 9.081 480 HZ2 TRP 60 2HZ TRP 60 -1.698 2.975 12.093 481 HZ3 TRP 60 3HZ TRP 60 -4.537 5.176 9.798 482 HH2 TRP 60 HH TRP 60 -2.593 5.105 11.271 483 H LYS 61 H LYS 61 -8.933 1.161 9.780 484 HA LYS 61 HA LYS 61 -10.718 -0.507 8.209 485 1HB LYS 61 2HB LYS 61 -11.564 0.849 10.102 486 2HB LYS 61 1HB LYS 61 -11.064 2.311 9.267 487 1HG LYS 61 2HG LYS 61 -12.662 1.832 7.475 488 2HG LYS 61 1HG LYS 61 -13.163 0.364 8.319 489 1HD LYS 61 2HD LYS 61 -13.845 1.740 10.248 490 2HD LYS 61 1HD LYS 61 -13.402 3.190 9.349 491 1HE LYS 61 2HE LYS 61 -15.083 2.668 7.659 492 2HE LYS 61 1HE LYS 61 -15.513 1.195 8.527 493 1HZ LYS 61 1HZ LYS 61 -15.807 3.973 9.553 494 2HZ LYS 61 2HZ LYS 61 -16.181 2.570 10.419 495 3HZ LYS 61 3HZ LYS 61 -17.070 2.968 9.028 496 H SER 62 H SER 62 -11.072 -0.292 6.066 497 HA SER 62 HA SER 62 -9.239 0.935 4.393 498 1HB SER 62 2HB SER 62 -11.071 0.601 2.630 499 2HB SER 62 1HB SER 62 -10.545 -0.834 3.515 500 HG SER 62 HG SER 62 -12.997 0.174 3.343 501 H GLU 63 H GLU 63 -12.332 2.135 5.563 502 HA GLU 63 HA GLU 63 -12.582 4.403 3.961 503 1HB GLU 63 2HB GLU 63 -14.363 3.459 5.395 504 2HB GLU 63 1HB GLU 63 -13.492 3.996 6.820 505 1HG GLU 63 2HG GLU 63 -14.251 6.007 4.769 506 2HG GLU 63 1HG GLU 63 -15.498 5.361 5.835 507 H ASN 64 H ASN 64 -10.981 4.021 7.120 508 HA ASN 64 HA ASN 64 -10.178 6.756 7.210 509 1HB ASN 64 2HB ASN 64 -9.690 4.343 8.900 510 2HB ASN 64 1HB ASN 64 -8.640 5.736 9.087 511 1HD2 ASN 64 1HD2 ASN 64 -11.796 4.452 9.598 512 2HD2 ASN 64 2HD2 ASN 64 -12.417 5.769 10.522 513 H LEU 65 H LEU 65 -8.846 3.816 5.934 514 HA LEU 65 HA LEU 65 -6.152 4.663 5.689 515 1HB LEU 65 2HB LEU 65 -7.777 2.659 4.123 516 2HB LEU 65 1HB LEU 65 -6.064 2.919 3.857 517 HG LEU 65 HG LEU 65 -7.261 2.011 6.477 518 1HD1 LEU 65 1HD1 LEU 65 -7.562 0.336 4.718 519 2HD1 LEU 65 2HD1 LEU 65 -6.371 -0.186 5.909 520 3HD1 LEU 65 3HD1 LEU 65 -5.842 0.425 4.342 521 1HD2 LEU 65 1HD2 LEU 65 -4.408 2.157 5.503 522 2HD2 LEU 65 2HD2 LEU 65 -4.936 1.492 7.048 523 3HD2 LEU 65 3HD2 LEU 65 -5.146 3.210 6.709 524 H PHE 66 H PHE 66 -8.951 4.849 3.534 525 HA PHE 66 HA PHE 66 -7.588 6.168 1.421 526 1HB PHE 66 2HB PHE 66 -9.784 4.940 1.227 527 2HB PHE 66 1HB PHE 66 -10.545 6.299 2.048 528 HD1 PHE 66 1HD PHE 66 -8.626 5.347 -0.970 529 HD2 PHE 66 2HD PHE 66 -11.195 8.210 0.851 530 HE1 PHE 66 1HE PHE 66 -8.899 6.474 -3.139 531 HE2 PHE 66 2HE PHE 66 -11.469 9.346 -1.314 532 HZ PHE 66 HZ PHE 66 -10.323 8.477 -3.313 533 H LYS 67 H LYS 67 -9.374 7.238 4.254 534 HA LYS 67 HA LYS 67 -9.469 9.992 3.813 535 1HB LYS 67 2HB LYS 67 -10.486 8.672 5.717 536 2HB LYS 67 1HB LYS 67 -8.906 8.648 6.457 537 1HG LYS 67 2HG LYS 67 -8.916 11.112 6.507 538 2HG LYS 67 1HG LYS 67 -10.561 11.090 5.862 539 1HD LYS 67 2HD LYS 67 -9.690 9.787 8.444 540 2HD LYS 67 1HD LYS 67 -10.501 11.349 8.323 541 1HE LYS 67 2HE LYS 67 -12.464 10.323 7.400 542 2HE LYS 67 1HE LYS 67 -11.652 8.762 7.291 543 1HZ LYS 67 1HZ LYS 67 -12.193 10.198 9.835 544 2HZ LYS 67 2HZ LYS 67 -11.566 8.631 9.665 545 3HZ LYS 67 3HZ LYS 67 -13.166 8.957 9.210 546 H ALA 68 H ALA 68 -7.068 8.080 5.538 547 HA ALA 68 HA ALA 68 -5.230 10.079 6.111 548 1HB ALA 68 1HB ALA 68 -3.594 8.302 6.399 549 2HB ALA 68 2HB ALA 68 -4.645 7.181 5.531 550 3HB ALA 68 3HB ALA 68 -5.153 7.844 7.083 551 H SER 69 H SER 69 -5.307 7.910 3.293 552 HA SER 69 HA SER 69 -3.009 8.908 2.038 553 1HB SER 69 2HB SER 69 -5.455 7.697 0.730 554 2HB SER 69 1HB SER 69 -3.831 7.774 0.046 555 HG SER 69 HG SER 69 -4.781 6.210 2.203 556 H LYS 70 H LYS 70 -6.382 9.915 1.891 557 HA LYS 70 HA LYS 70 -6.156 11.791 -0.203 558 1HB LYS 70 2HB LYS 70 -8.224 10.779 1.018 559 2HB LYS 70 1HB LYS 70 -8.022 12.121 2.123 560 1HG LYS 70 2HG LYS 70 -8.229 12.596 -0.821 561 2HG LYS 70 1HG LYS 70 -9.670 12.347 0.162 562 1HD LYS 70 2HD LYS 70 -8.955 14.219 1.615 563 2HD LYS 70 1HD LYS 70 -7.586 14.497 0.534 564 1HE LYS 70 2HE LYS 70 -9.061 15.020 -1.288 565 2HE LYS 70 1HE LYS 70 -10.472 14.560 -0.335 566 1HZ LYS 70 1HZ LYS 70 -8.657 16.847 0.217 567 2HZ LYS 70 2HZ LYS 70 -9.968 16.386 1.191 568 3HZ LYS 70 3HZ LYS 70 -10.240 16.946 -0.387 569 H LEU 71 H LEU 71 -5.940 12.089 3.302 570 HA LEU 71 HA LEU 71 -5.375 14.857 3.379 571 1HB LEU 71 2HB LEU 71 -4.618 12.716 5.364 572 2HB LEU 71 1HB LEU 71 -4.583 14.443 5.669 573 HG LEU 71 HG LEU 71 -7.047 12.795 5.098 574 1HD1 LEU 71 1HD1 LEU 71 -6.121 14.128 7.635 575 2HD1 LEU 71 2HD1 LEU 71 -6.097 12.395 7.310 576 3HD1 LEU 71 3HD1 LEU 71 -7.634 13.253 7.407 577 1HD2 LEU 71 1HD2 LEU 71 -6.771 15.726 5.751 578 2HD2 LEU 71 2HD2 LEU 71 -8.287 14.834 5.634 579 3HD2 LEU 71 3HD2 LEU 71 -7.276 15.043 4.205 580 H LEU 72 H LEU 72 -3.332 12.034 2.992 581 HA LEU 72 HA LEU 72 -0.846 13.265 3.465 582 1HB LEU 72 2HB LEU 72 -1.644 10.839 1.884 583 2HB LEU 72 1HB LEU 72 0.028 11.352 2.010 584 HG LEU 72 HG LEU 72 -1.721 10.647 4.368 585 1HD1 LEU 72 1HD1 LEU 72 -0.390 8.607 4.510 586 2HD1 LEU 72 2HD1 LEU 72 0.441 9.040 3.017 587 3HD1 LEU 72 3HD1 LEU 72 -1.286 8.683 2.993 588 1HD2 LEU 72 1HD2 LEU 72 1.240 11.171 4.154 589 2HD2 LEU 72 2HD2 LEU 72 0.378 10.671 5.611 590 3HD2 LEU 72 3HD2 LEU 72 0.048 12.245 4.884 591 H ARG 73 H ARG 73 -2.991 13.603 0.826 592 HA ARG 73 HA ARG 73 -1.162 14.148 -1.255 593 1HB ARG 73 2HB ARG 73 -3.775 13.825 -1.261 594 2HB ARG 73 1HB ARG 73 -3.797 15.569 -1.075 595 1HG ARG 73 2HG ARG 73 -2.319 14.184 -3.296 596 2HG ARG 73 1HG ARG 73 -4.008 14.668 -3.424 597 1HD ARG 73 2HD ARG 73 -1.772 16.566 -2.759 598 2HD ARG 73 1HD ARG 73 -2.344 16.269 -4.399 599 HE ARG 73 HE ARG 73 -4.615 16.971 -3.305 600 1HH1 ARG 73 1HH1 ARG 73 -1.473 18.301 -2.557 601 2HH1 ARG 73 2HH1 ARG 73 -2.054 19.928 -2.360 602 1HH2 ARG 73 1HH2 ARG 73 -5.400 19.095 -3.070 603 2HH2 ARG 73 2HH2 ARG 73 -4.307 20.374 -2.616 604 H SER 74 H SER 74 -2.167 15.950 1.504 605 HA SER 74 HA SER 74 -1.385 18.530 0.589 606 1HB SER 74 2HB SER 74 -2.959 18.267 2.440 607 2HB SER 74 1HB SER 74 -1.728 17.445 3.394 608 HG SER 74 HG SER 74 -0.769 19.804 2.550 609 H ASN 75 H ASN 75 0.378 15.778 1.467 610 HA ASN 75 HA ASN 75 2.789 17.406 1.948 611 1HB ASN 75 2HB ASN 75 2.246 15.655 3.671 612 2HB ASN 75 1HB ASN 75 2.441 14.431 2.424 613 1HD2 ASN 75 1HD2 ASN 75 3.885 14.772 4.906 614 2HD2 ASN 75 2HD2 ASN 75 5.554 14.943 4.485 615 H ASN 76 H ASN 76 1.737 14.433 0.301 616 HA ASN 76 HA ASN 76 3.315 15.233 -2.034 617 1HB ASN 76 2HB ASN 76 4.718 13.648 -0.797 618 2HB ASN 76 1HB ASN 76 3.395 12.487 -0.756 619 1HD2 ASN 76 1HD2 ASN 76 5.798 14.033 -2.741 620 2HD2 ASN 76 2HD2 ASN 76 5.694 12.929 -4.068 621 H THR 77 H THR 77 2.251 14.915 -3.910 622 HA THR 77 HA THR 77 -0.546 14.256 -3.636 623 HB THR 77 HB THR 77 0.148 16.212 -4.950 624 HG1 THR 77 1HG THR 77 -1.303 14.108 -6.149 625 1HG2 THR 77 1HG2 THR 77 1.303 14.197 -6.884 626 2HG2 THR 77 2HG2 THR 77 2.227 15.334 -5.902 627 3HG2 THR 77 3HG2 THR 77 1.153 15.931 -7.168 628 H GLU 78 H GLU 78 2.185 12.418 -4.442 629 HA GLU 78 HA GLU 78 0.886 10.786 -6.431 630 1HB GLU 78 2HB GLU 78 3.515 10.441 -4.996 631 2HB GLU 78 1HB GLU 78 2.959 9.465 -6.340 632 1HG GLU 78 2HG GLU 78 2.881 11.532 -7.723 633 2HG GLU 78 1HG GLU 78 3.634 12.389 -6.378 634 H ILE 79 H ILE 79 1.384 10.745 -2.999 635 HA ILE 79 HA ILE 79 1.203 8.041 -2.421 636 HB ILE 79 HB ILE 79 0.051 10.279 -0.748 637 1HG1 ILE 79 2HG1 ILE 79 2.800 9.015 -0.676 638 2HG1 ILE 79 1HG1 ILE 79 2.439 10.590 -1.370 639 1HG2 ILE 79 1HG2 ILE 79 0.949 7.501 0.002 640 2HG2 ILE 79 2HG2 ILE 79 -0.720 8.064 -0.059 641 3HG2 ILE 79 3HG2 ILE 79 0.396 8.742 1.128 642 1HD1 ILE 79 1HD1 ILE 79 2.059 9.826 1.512 643 2HD1 ILE 79 2HD1 ILE 79 1.761 11.415 0.808 644 3HD1 ILE 79 3HD1 ILE 79 3.402 10.769 0.865 645 HA PRO 80 HA PRO 80 -3.664 8.426 -2.009 646 1HB PRO 80 2HB PRO 80 -4.735 10.455 -3.548 647 2HB PRO 80 1HB PRO 80 -4.483 10.540 -1.801 648 1HG PRO 80 2HG PRO 80 -2.777 11.594 -4.018 649 2HG PRO 80 1HG PRO 80 -3.193 12.350 -2.468 650 1HD PRO 80 2HD PRO 80 -0.810 11.210 -2.857 651 2HD PRO 80 1HD PRO 80 -1.644 11.074 -1.293 652 H ILE 81 H ILE 81 -1.976 9.374 -4.936 653 HA ILE 81 HA ILE 81 -3.803 8.218 -6.779 654 HB ILE 81 HB ILE 81 -0.850 8.793 -7.113 655 1HG1 ILE 81 2HG1 ILE 81 -3.282 10.409 -7.915 656 2HG1 ILE 81 1HG1 ILE 81 -2.201 10.788 -6.578 657 1HG2 ILE 81 1HG2 ILE 81 -1.281 8.697 -9.513 658 2HG2 ILE 81 2HG2 ILE 81 -2.960 8.256 -9.199 659 3HG2 ILE 81 3HG2 ILE 81 -1.658 7.159 -8.738 660 1HD1 ILE 81 1HD1 ILE 81 -1.718 12.168 -8.507 661 2HD1 ILE 81 2HD1 ILE 81 -1.459 10.727 -9.489 662 3HD1 ILE 81 3HD1 ILE 81 -0.363 11.093 -8.157 663 H LEU 82 H LEU 82 -0.719 7.115 -5.411 664 HA LEU 82 HA LEU 82 -0.643 4.615 -6.677 665 1HB LEU 82 2HB LEU 82 0.481 5.304 -3.962 666 2HB LEU 82 1HB LEU 82 0.999 3.997 -5.010 667 HG LEU 82 HG LEU 82 1.291 6.939 -5.629 668 1HD1 LEU 82 1HD1 LEU 82 2.735 6.194 -3.791 669 2HD1 LEU 82 2HD1 LEU 82 3.653 6.614 -5.238 670 3HD1 LEU 82 3HD1 LEU 82 3.379 4.921 -4.829 671 1HD2 LEU 82 1HD2 LEU 82 2.297 4.501 -7.089 672 2HD2 LEU 82 2HD2 LEU 82 2.698 6.173 -7.483 673 3HD2 LEU 82 3HD2 LEU 82 1.037 5.603 -7.641 674 H TRP 83 H TRP 83 -2.064 5.635 -3.600 675 HA TRP 83 HA TRP 83 -2.901 3.045 -2.800 676 1HB TRP 83 2HB TRP 83 -2.730 4.878 -1.185 677 2HB TRP 83 1HB TRP 83 -4.008 5.756 -2.021 678 HD1 TRP 83 HD TRP 83 -6.276 5.532 -0.864 679 HE1 TRP 83 1HE TRP 83 -7.443 3.768 0.604 680 HE3 TRP 83 3HE TRP 83 -2.629 1.949 -0.831 681 HZ2 TRP 83 2HZ TRP 83 -6.886 1.192 1.641 682 HZ3 TRP 83 3HZ TRP 83 -3.029 -0.127 0.413 683 HH2 TRP 83 HH TRP 83 -5.112 -0.496 1.624 684 H LYS 84 H LYS 84 -4.426 5.620 -4.690 685 HA LYS 84 HA LYS 84 -6.999 4.496 -4.829 686 1HB LYS 84 2HB LYS 84 -6.317 6.839 -5.503 687 2HB LYS 84 1HB LYS 84 -5.710 6.148 -6.997 688 1HG LYS 84 2HG LYS 84 -7.951 5.293 -7.502 689 2HG LYS 84 1HG LYS 84 -8.555 6.038 -6.023 690 1HD LYS 84 2HD LYS 84 -7.856 8.244 -6.886 691 2HD LYS 84 1HD LYS 84 -7.348 7.470 -8.390 692 1HE LYS 84 2HE LYS 84 -9.657 6.654 -8.706 693 2HE LYS 84 1HE LYS 84 -10.136 7.518 -7.247 694 1HZ LYS 84 1HZ LYS 84 -9.112 8.715 -9.765 695 2HZ LYS 84 2HZ LYS 84 -9.401 9.591 -8.343 696 3HZ LYS 84 3HZ LYS 84 -10.687 8.830 -9.144 697 H SER 85 H SER 85 -4.111 3.999 -6.753 698 HA SER 85 HA SER 85 -5.223 2.413 -8.777 699 1HB SER 85 2HB SER 85 -2.450 2.316 -7.562 700 2HB SER 85 1HB SER 85 -2.914 1.545 -9.079 701 HG SER 85 HG SER 85 -1.915 3.696 -9.238 702 H ALA 86 H ALA 86 -3.908 1.507 -5.599 703 HA ALA 86 HA ALA 86 -4.453 -1.285 -5.925 704 1HB ALA 86 1HB ALA 86 -3.919 -1.475 -3.559 705 2HB ALA 86 2HB ALA 86 -3.998 0.279 -3.379 706 3HB ALA 86 3HB ALA 86 -2.737 -0.451 -4.373 707 H TRP 87 H TRP 87 -6.117 1.432 -4.466 708 HA TRP 87 HA TRP 87 -8.282 0.160 -3.277 709 1HB TRP 87 2HB TRP 87 -7.906 2.491 -2.889 710 2HB TRP 87 1HB TRP 87 -7.983 2.859 -4.600 711 HD1 TRP 87 HD TRP 87 -10.178 3.732 -5.454 712 HE1 TRP 87 1HE TRP 87 -12.587 3.905 -4.571 713 HE3 TRP 87 3HE TRP 87 -9.633 1.033 -1.160 714 HZ2 TRP 87 2HZ TRP 87 -14.053 3.029 -2.321 715 HZ3 TRP 87 3HZ TRP 87 -11.585 0.751 0.313 716 HH2 TRP 87 HH TRP 87 -13.750 1.730 -0.259 717 H THR 88 H THR 88 -7.895 1.327 -6.604 718 HA THR 88 HA THR 88 -10.436 0.700 -7.569 719 HB THR 88 HB THR 88 -7.814 0.703 -9.081 720 HG1 THR 88 1HG THR 88 -8.174 2.711 -8.145 721 1HG2 THR 88 1HG2 THR 88 -9.581 -0.409 -10.355 722 2HG2 THR 88 2HG2 THR 88 -9.197 1.161 -11.063 723 3HG2 THR 88 3HG2 THR 88 -10.652 0.964 -10.086 724 H LEU 89 H LEU 89 -7.587 -1.333 -7.159 725 HA LEU 89 HA LEU 89 -8.419 -3.548 -8.669 726 1HB LEU 89 2HB LEU 89 -6.780 -3.583 -6.132 727 2HB LEU 89 1HB LEU 89 -6.866 -4.864 -7.324 728 HG LEU 89 HG LEU 89 -5.598 -2.148 -7.669 729 1HD1 LEU 89 1HD1 LEU 89 -4.293 -3.771 -6.401 730 2HD1 LEU 89 2HD1 LEU 89 -3.560 -3.448 -7.973 731 3HD1 LEU 89 3HD1 LEU 89 -4.465 -4.939 -7.710 732 1HD2 LEU 89 1HD2 LEU 89 -5.003 -2.852 -9.918 733 2HD2 LEU 89 2HD2 LEU 89 -6.757 -2.804 -9.732 734 3HD2 LEU 89 3HD2 LEU 89 -5.907 -4.349 -9.708 735 H HIS 90 H HIS 90 -9.098 -2.600 -5.342 736 HA HIS 90 HA HIS 90 -10.532 -5.007 -4.718 737 1HB HIS 90 2HB HIS 90 -9.427 -3.743 -2.938 738 2HB HIS 90 1HB HIS 90 -10.433 -2.341 -3.281 739 HD1 HIS 90 1HD HIS 90 -10.797 -5.919 -2.030 740 HD2 HIS 90 2HD HIS 90 -12.753 -2.245 -1.867 741 HE1 HIS 90 1HE HIS 90 -12.703 -6.230 -0.418 742 HE2 HIS 90 2HE HIS 90 -13.999 -4.069 -0.508 743 H VAL 91 H VAL 91 -11.356 -1.805 -5.891 744 HA VAL 91 HA VAL 91 -14.158 -1.984 -5.523 745 HB VAL 91 HB VAL 91 -12.608 -0.374 -7.565 746 1HG1 VAL 91 1HG1 VAL 91 -14.596 1.038 -7.702 747 2HG1 VAL 91 2HG1 VAL 91 -15.446 -0.038 -6.595 748 3HG1 VAL 91 3HG1 VAL 91 -14.964 -0.617 -8.188 749 1HG2 VAL 91 1HG2 VAL 91 -13.629 0.352 -4.825 750 2HG2 VAL 91 2HG2 VAL 91 -12.917 1.481 -5.977 751 3HG2 VAL 91 3HG2 VAL 91 -11.942 0.173 -5.307 752 H GLU 92 H GLU 92 -12.015 -2.913 -8.168 753 HA GLU 92 HA GLU 92 -14.201 -3.713 -9.866 754 1HB GLU 92 2HB GLU 92 -11.210 -3.939 -10.099 755 2HB GLU 92 1HB GLU 92 -12.295 -4.683 -11.269 756 1HG GLU 92 2HG GLU 92 -12.180 -1.753 -10.586 757 2HG GLU 92 1HG GLU 92 -11.513 -2.508 -12.034 758 H GLY 93 H GLY 93 -13.048 -5.053 -7.147 759 1HA GLY 93 2HA GLY 93 -12.902 -7.813 -7.838 760 2HA GLY 93 1HA GLY 93 -13.173 -7.162 -6.228 761 H PHE 94 H PHE 94 -15.464 -5.669 -7.835 762 HA PHE 94 HA PHE 94 -17.628 -7.211 -6.955 763 1HB PHE 94 2HB PHE 94 -17.824 -4.822 -7.419 764 2HB PHE 94 1HB PHE 94 -17.503 -5.101 -9.125 765 HD1 PHE 94 2HD PHE 94 -19.923 -5.877 -6.419 766 HD2 PHE 94 1HD PHE 94 -19.247 -5.498 -10.605 767 HE1 PHE 94 2HE PHE 94 -22.336 -6.126 -6.830 768 HE2 PHE 94 1HE PHE 94 -21.656 -5.755 -11.021 769 HZ PHE 94 HZ PHE 94 -23.204 -6.068 -9.134 770 H HIS 95 H HIS 95 -15.816 -7.240 -9.943 771 HA HIS 95 HA HIS 95 -17.536 -9.429 -10.898 772 1HB HIS 95 2HB HIS 95 -16.688 -8.941 -13.180 773 2HB HIS 95 1HB HIS 95 -17.599 -7.610 -12.485 774 HD1 HIS 95 1HD HIS 95 -14.172 -8.572 -13.627 775 HD2 HIS 95 2HD HIS 95 -16.133 -5.269 -12.031 776 HE1 HIS 95 1HE HIS 95 -12.595 -6.632 -13.930 777 HE2 HIS 95 2HE HIS 95 -13.884 -4.613 -13.124 778 H GLU 96 H GLU 96 -15.547 -9.741 -8.962 779 HA GLU 96 HA GLU 96 -14.013 -11.285 -8.361 780 1HB GLU 96 2HB GLU 96 -14.183 -12.197 -11.236 781 2HB GLU 96 1HB GLU 96 -13.299 -13.034 -9.967 782 1HG GLU 96 2HG GLU 96 -16.268 -12.555 -10.062 783 2HG GLU 96 1HG GLU 96 -15.438 -14.084 -10.346 784 H LEU 97 H LEU 97 -11.694 -11.863 -8.650 785 HA LEU 97 HA LEU 97 -10.244 -9.499 -9.426 786 1HB LEU 97 2HB LEU 97 -9.433 -12.111 -8.182 787 2HB LEU 97 1HB LEU 97 -8.235 -10.958 -8.729 788 HG LEU 97 HG LEU 97 -8.510 -10.664 -6.380 789 1HD1 LEU 97 1HD1 LEU 97 -8.232 -8.622 -7.670 790 2HD1 LEU 97 2HD1 LEU 97 -9.225 -8.339 -6.240 791 3HD1 LEU 97 3HD1 LEU 97 -9.981 -8.472 -7.829 792 1HD2 LEU 97 1HD2 LEU 97 -10.644 -10.150 -5.327 793 2HD2 LEU 97 2HD2 LEU 97 -10.699 -11.721 -6.126 794 3HD2 LEU 97 3HD2 LEU 97 -11.464 -10.323 -6.881 795 H SER 98 H SER 98 -11.084 -9.860 -11.686 796 HA SER 98 HA SER 98 -9.284 -11.604 -13.227 797 1HB SER 98 2HB SER 98 -11.805 -10.204 -14.164 798 2HB SER 98 1HB SER 98 -10.916 -11.473 -15.009 799 HG SER 98 HG SER 98 -11.481 -12.436 -12.638 800 H LEU 99 H LEU 99 -8.458 -9.157 -12.032 801 HA LEU 99 HA LEU 99 -8.551 -6.865 -13.582 802 1HB LEU 99 2HB LEU 99 -6.222 -7.845 -11.927 803 2HB LEU 99 1HB LEU 99 -6.533 -6.184 -12.399 804 HG LEU 99 HG LEU 99 -8.370 -7.797 -10.630 805 1HD1 LEU 99 1HD1 LEU 99 -6.214 -7.484 -9.543 806 2HD1 LEU 99 2HD1 LEU 99 -7.461 -6.498 -8.778 807 3HD1 LEU 99 3HD1 LEU 99 -6.291 -5.753 -9.868 808 1HD2 LEU 99 1HD2 LEU 99 -8.241 -4.854 -11.269 809 2HD2 LEU 99 2HD2 LEU 99 -9.328 -5.605 -10.099 810 3HD2 LEU 99 3HD2 LEU 99 -9.477 -5.990 -11.813 811 H ASN 100 H ASN 100 -7.391 -6.072 -15.293 812 HA ASN 100 HA ASN 100 -6.411 -7.989 -17.127 813 1HB ASN 100 2HB ASN 100 -5.974 -5.005 -17.306 814 2HB ASN 100 1HB ASN 100 -5.966 -6.165 -18.626 815 1HD2 ASN 100 1HD2 ASN 100 -7.792 -3.981 -16.867 816 2HD2 ASN 100 2HD2 ASN 100 -9.363 -4.400 -17.480 817 H GLU 101 H GLU 101 -4.366 -8.232 -17.989 818 HA GLU 101 HA GLU 101 -2.343 -8.555 -16.097 819 1HB GLU 101 2HB GLU 101 -2.548 -9.841 -18.191 820 2HB GLU 101 1HB GLU 101 -2.106 -8.411 -19.107 821 1HG GLU 101 2HG GLU 101 0.073 -8.395 -17.942 822 2HG GLU 101 1HG GLU 101 -0.376 -9.915 -17.163 823 H LYS 102 H LYS 102 -2.757 -6.081 -18.599 824 HA LYS 102 HA LYS 102 -0.369 -4.716 -18.295 825 1HB LYS 102 2HB LYS 102 -2.050 -4.375 -20.093 826 2HB LYS 102 1HB LYS 102 -3.077 -3.542 -18.937 827 1HG LYS 102 2HG LYS 102 -1.208 -1.942 -18.574 828 2HG LYS 102 1HG LYS 102 -0.382 -2.695 -19.935 829 1HD LYS 102 2HD LYS 102 -2.150 -2.081 -21.428 830 2HD LYS 102 1HD LYS 102 -3.143 -1.506 -20.087 831 1HE LYS 102 2HE LYS 102 -1.356 0.186 -19.613 832 2HE LYS 102 1HE LYS 102 -0.575 -0.312 -21.114 833 1HZ LYS 102 1HZ LYS 102 -2.523 0.336 -22.341 834 2HZ LYS 102 2HZ LYS 102 -2.004 1.643 -21.391 835 3HZ LYS 102 3HZ LYS 102 -3.345 0.729 -20.908 836 H GLU 103 H GLU 103 -3.464 -4.216 -16.656 837 HA GLU 103 HA GLU 103 -2.723 -2.017 -15.101 838 1HB GLU 103 2HB GLU 103 -4.847 -4.108 -14.901 839 2HB GLU 103 1HB GLU 103 -4.579 -3.037 -13.539 840 1HG GLU 103 2HG GLU 103 -6.355 -2.192 -14.941 841 2HG GLU 103 1HG GLU 103 -4.974 -1.100 -14.976 842 H VAL 104 H VAL 104 -2.483 -5.490 -14.467 843 HA VAL 104 HA VAL 104 -1.554 -5.340 -11.820 844 HB VAL 104 HB VAL 104 -0.918 -7.426 -13.919 845 1HG1 VAL 104 1HG1 VAL 104 -0.478 -8.918 -12.020 846 2HG1 VAL 104 2HG1 VAL 104 -0.696 -7.561 -10.914 847 3HG1 VAL 104 3HG1 VAL 104 0.642 -7.558 -12.064 848 1HG2 VAL 104 1HG2 VAL 104 -3.316 -7.160 -13.559 849 2HG2 VAL 104 2HG2 VAL 104 -3.084 -7.359 -11.821 850 3HG2 VAL 104 3HG2 VAL 104 -2.747 -8.701 -12.915 851 H LYS 105 H LYS 105 0.164 -5.305 -14.913 852 HA LYS 105 HA LYS 105 2.776 -5.356 -13.871 853 1HB LYS 105 2HB LYS 105 1.785 -4.172 -16.468 854 2HB LYS 105 1HB LYS 105 3.468 -4.500 -16.079 855 1HG LYS 105 2HG LYS 105 1.280 -6.555 -16.300 856 2HG LYS 105 1HG LYS 105 2.521 -6.225 -17.511 857 1HD LYS 105 2HD LYS 105 4.253 -6.880 -15.904 858 2HD LYS 105 1HD LYS 105 3.007 -7.214 -14.699 859 1HE LYS 105 2HE LYS 105 3.726 -9.280 -15.736 860 2HE LYS 105 1HE LYS 105 2.060 -8.930 -16.195 861 1HZ LYS 105 1HZ LYS 105 2.828 -8.117 -18.317 862 2HZ LYS 105 2HZ LYS 105 3.420 -9.687 -18.071 863 3HZ LYS 105 3HZ LYS 105 4.448 -8.351 -17.869 864 H LYS 106 H LYS 106 0.549 -2.686 -14.494 865 HA LYS 106 HA LYS 106 2.502 -0.664 -13.919 866 1HB LYS 106 2HB LYS 106 0.486 -0.161 -15.269 867 2HB LYS 106 1HB LYS 106 -0.516 -0.437 -13.847 868 1HG LYS 106 2HG LYS 106 1.009 1.372 -12.759 869 2HG LYS 106 1HG LYS 106 1.369 1.802 -14.430 870 1HD LYS 106 2HD LYS 106 -1.407 1.634 -13.270 871 2HD LYS 106 1HD LYS 106 -0.473 3.123 -13.411 872 1HE LYS 106 2HE LYS 106 -0.361 2.771 -15.855 873 2HE LYS 106 1HE LYS 106 -1.387 1.348 -15.669 874 1HZ LYS 106 1HZ LYS 106 -2.107 4.164 -15.069 875 2HZ LYS 106 2HZ LYS 106 -3.068 2.841 -14.640 876 3HZ LYS 106 3HZ LYS 106 -2.767 3.170 -16.278 877 H LEU 107 H LEU 107 -0.059 -2.282 -12.116 878 HA LEU 107 HA LEU 107 -0.111 -0.623 -9.889 879 1HB LEU 107 2HB LEU 107 -1.189 -3.175 -10.633 880 2HB LEU 107 1HB LEU 107 -0.639 -3.228 -8.968 881 HG LEU 107 HG LEU 107 -2.998 -2.616 -9.082 882 1HD1 LEU 107 1HD1 LEU 107 -2.901 -0.551 -7.764 883 2HD1 LEU 107 2HD1 LEU 107 -1.217 -0.334 -8.242 884 3HD1 LEU 107 3HD1 LEU 107 -1.681 -1.720 -7.256 885 1HD2 LEU 107 1HD2 LEU 107 -2.988 -1.580 -11.300 886 2HD2 LEU 107 2HD2 LEU 107 -2.064 -0.221 -10.662 887 3HD2 LEU 107 3HD2 LEU 107 -3.706 -0.514 -10.093 888 H LYS 108 H LYS 108 1.998 -3.410 -10.537 889 HA LYS 108 HA LYS 108 3.067 -3.528 -7.924 890 1HB LYS 108 2HB LYS 108 3.321 -5.275 -9.778 891 2HB LYS 108 1HB LYS 108 4.627 -4.265 -10.393 892 1HG LYS 108 2HG LYS 108 5.693 -4.425 -8.130 893 2HG LYS 108 1HG LYS 108 4.470 -5.624 -7.714 894 1HD LYS 108 2HD LYS 108 6.316 -6.886 -8.388 895 2HD LYS 108 1HD LYS 108 5.259 -6.877 -9.801 896 1HE LYS 108 2HE LYS 108 6.581 -5.102 -10.802 897 2HE LYS 108 1HE LYS 108 7.607 -5.038 -9.368 898 1HZ LYS 108 1HZ LYS 108 7.399 -7.204 -11.368 899 2HZ LYS 108 2HZ LYS 108 8.098 -7.453 -9.843 900 3HZ LYS 108 3HZ LYS 108 8.777 -6.324 -10.912 901 H GLU 109 H GLU 109 3.836 -1.580 -10.721 902 HA GLU 109 HA GLU 109 6.305 -0.562 -9.693 903 1HB GLU 109 2HB GLU 109 4.520 0.554 -11.869 904 2HB GLU 109 1HB GLU 109 6.192 1.010 -11.566 905 1HG GLU 109 2HG GLU 109 5.225 -1.713 -12.418 906 2HG GLU 109 1HG GLU 109 6.013 -0.519 -13.449 907 H ASP 110 H ASP 110 2.989 0.659 -9.922 908 HA ASP 110 HA ASP 110 3.341 3.105 -8.608 909 1HB ASP 110 2HB ASP 110 0.999 1.235 -8.901 910 2HB ASP 110 1HB ASP 110 0.861 2.669 -7.894 911 H VAL 111 H VAL 111 2.382 -0.052 -7.278 912 HA VAL 111 HA VAL 111 2.358 0.741 -4.584 913 HB VAL 111 HB VAL 111 2.825 -2.003 -5.776 914 1HG1 VAL 111 1HG1 VAL 111 2.254 -2.894 -3.570 915 2HG1 VAL 111 2HG1 VAL 111 2.191 -1.254 -2.923 916 3HG1 VAL 111 3HG1 VAL 111 3.719 -1.914 -3.506 917 1HG2 VAL 111 1HG2 VAL 111 0.357 -0.709 -4.612 918 2HG2 VAL 111 2HG2 VAL 111 0.470 -2.378 -5.169 919 3HG2 VAL 111 3HG2 VAL 111 0.649 -1.052 -6.318 920 H ARG 112 H ARG 112 4.965 -0.540 -6.629 921 HA ARG 112 HA ARG 112 6.919 -0.930 -4.685 922 1HB ARG 112 2HB ARG 112 7.092 -1.487 -7.152 923 2HB ARG 112 1HB ARG 112 7.461 0.211 -7.434 924 1HG ARG 112 2HG ARG 112 9.351 -0.121 -5.733 925 2HG ARG 112 1HG ARG 112 9.077 -1.844 -5.971 926 1HD ARG 112 2HD ARG 112 9.871 0.183 -8.052 927 2HD ARG 112 1HD ARG 112 10.853 -1.135 -7.417 928 HE ARG 112 HE ARG 112 8.461 -1.510 -9.108 929 1HH1 ARG 112 1HH1 ARG 112 11.620 -2.539 -7.996 930 2HH1 ARG 112 2HH1 ARG 112 11.734 -3.845 -9.131 931 1HH2 ARG 112 1HH2 ARG 112 8.630 -3.171 -10.639 932 2HH2 ARG 112 2HH2 ARG 112 10.047 -4.194 -10.651 933 H LYS 113 H LYS 113 6.073 2.010 -6.473 934 HA LYS 113 HA LYS 113 8.012 3.729 -5.459 935 1HB LYS 113 2HB LYS 113 5.183 4.229 -6.376 936 2HB LYS 113 1HB LYS 113 6.286 5.522 -5.955 937 1HG LYS 113 2HG LYS 113 7.818 4.790 -7.719 938 2HG LYS 113 1HG LYS 113 6.688 3.503 -8.147 939 1HD LYS 113 2HD LYS 113 6.449 5.425 -9.641 940 2HD LYS 113 1HD LYS 113 4.985 5.170 -8.690 941 1HE LYS 113 2HE LYS 113 5.476 7.525 -8.756 942 2HE LYS 113 1HE LYS 113 5.749 6.927 -7.121 943 1HZ LYS 113 1HZ LYS 113 7.560 8.303 -7.604 944 2HZ LYS 113 2HZ LYS 113 7.765 7.664 -9.162 945 3HZ LYS 113 3HZ LYS 113 8.170 6.731 -7.804 946 H LEU 114 H LEU 114 4.838 2.862 -4.170 947 HA LEU 114 HA LEU 114 4.905 4.692 -2.011 948 1HB LEU 114 2HB LEU 114 2.840 3.858 -3.000 949 2HB LEU 114 1HB LEU 114 3.264 2.222 -2.548 950 HG LEU 114 HG LEU 114 3.139 2.844 -0.205 951 1HD1 LEU 114 1HD1 LEU 114 2.085 4.986 0.436 952 2HD1 LEU 114 2HD1 LEU 114 2.179 5.502 -1.249 953 3HD1 LEU 114 3HD1 LEU 114 3.657 5.201 -0.334 954 1HD2 LEU 114 1HD2 LEU 114 0.681 3.077 -0.099 955 2HD2 LEU 114 2HD2 LEU 114 1.206 1.854 -1.256 956 3HD2 LEU 114 3HD2 LEU 114 0.671 3.435 -1.825 957 H VAL 115 H VAL 115 5.629 1.268 -2.443 958 HA VAL 115 HA VAL 115 6.130 0.590 0.224 959 HB VAL 115 HB VAL 115 7.268 -0.545 -2.331 960 1HG1 VAL 115 1HG1 VAL 115 8.853 -0.999 -0.546 961 2HG1 VAL 115 2HG1 VAL 115 8.009 -2.476 -1.012 962 3HG1 VAL 115 3HG1 VAL 115 7.554 -1.630 0.468 963 1HG2 VAL 115 1HG2 VAL 115 5.165 -1.561 -0.424 964 2HG2 VAL 115 2HG2 VAL 115 5.723 -2.385 -1.881 965 3HG2 VAL 115 3HG2 VAL 115 4.872 -0.846 -2.010 966 H ILE 116 H ILE 116 8.354 1.825 -2.266 967 HA ILE 116 HA ILE 116 10.696 1.790 -0.739 968 HB ILE 116 HB ILE 116 9.917 3.835 -2.830 969 1HG1 ILE 116 2HG1 ILE 116 9.809 1.577 -3.724 970 2HG1 ILE 116 1HG1 ILE 116 11.217 2.408 -4.378 971 1HG2 ILE 116 1HG2 ILE 116 12.317 4.208 -3.102 972 2HG2 ILE 116 2HG2 ILE 116 12.647 3.079 -1.789 973 3HG2 ILE 116 3HG2 ILE 116 11.797 4.589 -1.461 974 1HD1 ILE 116 1HD1 ILE 116 11.716 0.100 -3.800 975 2HD1 ILE 116 2HD1 ILE 116 11.236 0.404 -2.130 976 3HD1 ILE 116 3HD1 ILE 116 12.647 1.218 -2.805 977 H PHE 117 H PHE 117 8.008 4.037 -0.771 978 HA PHE 117 HA PHE 117 9.359 6.084 0.710 979 1HB PHE 117 2HB PHE 117 7.270 6.268 -0.853 980 2HB PHE 117 1HB PHE 117 6.370 5.822 0.592 981 HD1 PHE 117 1HD PHE 117 6.373 7.316 2.560 982 HD2 PHE 117 2HD PHE 117 8.206 8.428 -1.115 983 HE1 PHE 117 1HE PHE 117 6.391 9.670 3.283 984 HE2 PHE 117 2HE PHE 117 8.228 10.781 -0.403 985 HZ PHE 117 HZ PHE 117 7.321 11.406 1.801 986 H ALA 118 H ALA 118 7.099 3.480 1.473 987 HA ALA 118 HA ALA 118 6.842 4.080 4.233 988 1HB ALA 118 1HB ALA 118 5.906 1.856 4.446 989 2HB ALA 118 2HB ALA 118 6.522 1.416 2.854 990 3HB ALA 118 3HB ALA 118 5.267 2.646 3.004 991 H VAL 119 H VAL 119 8.873 1.782 2.447 992 HA VAL 119 HA VAL 119 10.339 0.705 4.548 993 HB VAL 119 HB VAL 119 11.126 1.293 1.689 994 1HG1 VAL 119 1HG1 VAL 119 13.057 -0.181 2.015 995 2HG1 VAL 119 2HG1 VAL 119 12.689 -0.272 3.739 996 3HG1 VAL 119 3HG1 VAL 119 13.165 1.265 3.019 997 1HG2 VAL 119 1HG2 VAL 119 10.880 -1.129 1.420 998 2HG2 VAL 119 2HG2 VAL 119 9.387 -0.383 1.993 999 3HG2 VAL 119 3HG2 VAL 119 10.420 -1.266 3.117 1000 H ASN 120 H ASN 120 11.000 3.580 2.587 1001 HA ASN 120 HA ASN 120 13.368 4.351 3.867 1002 1HB ASN 120 2HB ASN 120 12.217 5.203 1.669 1003 2HB ASN 120 1HB ASN 120 11.467 6.379 2.748 1004 1HD2 ASN 120 1HD2 ASN 120 14.366 5.354 1.197 1005 2HD2 ASN 120 2HD2 ASN 120 15.335 6.710 1.653 1006 H SER 121 H SER 121 10.002 4.892 4.667 1007 HA SER 121 HA SER 121 10.254 7.068 6.388 1008 1HB SER 121 2HB SER 121 8.108 6.176 5.497 1009 2HB SER 121 1HB SER 121 8.255 4.805 6.595 1010 HG SER 121 HG SER 121 8.350 7.459 7.558 1011 H LEU 122 H LEU 122 10.510 3.587 7.103 1012 HA LEU 122 HA LEU 122 11.209 4.266 9.862 1013 1HB LEU 122 2HB LEU 122 10.469 1.707 8.496 1014 2HB LEU 122 1HB LEU 122 11.326 1.668 10.024 1015 HG LEU 122 HG LEU 122 9.469 3.027 11.022 1016 1HD1 LEU 122 1HD1 LEU 122 8.574 4.017 8.996 1017 2HD1 LEU 122 2HD1 LEU 122 7.330 3.094 9.836 1018 3HD1 LEU 122 3HD1 LEU 122 8.107 2.422 8.402 1019 1HD2 LEU 122 1HD2 LEU 122 7.919 1.140 11.186 1020 2HD2 LEU 122 2HD2 LEU 122 9.597 0.623 11.339 1021 3HD2 LEU 122 3HD2 LEU 122 8.729 0.360 9.828 1022 H GLU 123 H GLU 123 12.612 3.133 6.917 1023 HA GLU 123 HA GLU 123 15.162 2.598 8.272 1024 1HB GLU 123 2HB GLU 123 14.241 1.873 5.476 1025 2HB GLU 123 1HB GLU 123 15.785 1.422 6.192 1026 1HG GLU 123 2HG GLU 123 14.693 0.046 7.829 1027 2HG GLU 123 1HG GLU 123 13.108 0.609 7.307 1028 H HIS 124 H HIS 124 14.498 5.257 8.113 1029 HA HIS 124 HA HIS 124 15.470 6.606 5.815 1030 1HB HIS 124 2HB HIS 124 15.048 7.462 8.672 1031 2HB HIS 124 1HB HIS 124 15.840 8.532 7.530 1032 HD1 HIS 124 1HD HIS 124 14.112 8.529 5.114 1033 HD2 HIS 124 2HD HIS 124 12.521 8.264 8.946 1034 HE1 HIS 124 1HE HIS 124 11.761 9.384 4.933 1035 HE2 HIS 124 2HE HIS 124 10.743 8.989 7.208 1036 H HIS 125 H HIS 125 17.515 6.616 5.089 1037 HA HIS 125 HA HIS 125 19.646 6.836 7.118 1038 1HB HIS 125 2HB HIS 125 19.769 4.941 5.355 1039 2HB HIS 125 1HB HIS 125 20.158 6.220 4.208 1040 HD1 HIS 125 1HD HIS 125 21.551 4.347 7.138 1041 HD2 HIS 125 2HD HIS 125 22.731 7.347 4.501 1042 HE1 HIS 125 1HE HIS 125 24.014 4.662 7.523 1043 HE2 HIS 125 2HE HIS 125 24.649 6.636 6.095 1044 H HIS 126 H HIS 126 17.660 8.642 5.427 1045 HA HIS 126 HA HIS 126 19.144 10.623 4.156 1046 1HB HIS 126 2HB HIS 126 16.717 10.591 4.029 1047 2HB HIS 126 1HB HIS 126 16.586 10.852 5.766 1048 HD1 HIS 126 1HD HIS 126 17.410 12.648 2.561 1049 HD2 HIS 126 2HD HIS 126 16.824 13.497 6.592 1050 HE1 HIS 126 1HE HIS 126 17.293 15.154 2.722 1051 HE2 HIS 126 2HE HIS 126 17.185 15.641 5.192 1052 H HIS 127 H HIS 127 18.596 10.010 7.556 1053 HA HIS 127 HA HIS 127 19.747 12.410 8.534 1054 1HB HIS 127 2HB HIS 127 18.342 10.807 9.890 1055 2HB HIS 127 1HB HIS 127 19.719 9.710 9.909 1056 HD1 HIS 127 1HD HIS 127 20.443 9.793 12.299 1057 HD2 HIS 127 2HD HIS 127 19.821 13.585 10.700 1058 HE1 HIS 127 1HE HIS 127 21.220 11.410 14.059 1059 HE2 HIS 127 2HE HIS 127 20.909 13.692 13.048 1060 H HIS 128 H HIS 128 21.667 12.985 7.862 1061 HA HIS 128 HA HIS 128 23.478 11.387 6.540 1062 1HB HIS 128 2HB HIS 128 23.373 13.812 6.298 1063 2HB HIS 128 1HB HIS 128 23.980 14.018 7.935 1064 HD1 HIS 128 1HD HIS 128 26.434 14.227 8.186 1065 HD2 HIS 128 2HD HIS 128 25.370 12.569 4.520 1066 HE1 HIS 128 1HE HIS 128 28.572 14.055 6.869 1067 HE2 HIS 128 2HE HIS 128 27.932 12.876 4.738 1068 H HIS 129 H HIS 129 24.386 9.660 7.367 1069 HA HIS 129 HA HIS 129 26.721 9.864 8.832 1070 1HB HIS 129 2HB HIS 129 26.281 8.985 10.980 1071 2HB HIS 129 1HB HIS 129 25.028 10.191 10.744 1072 HD1 HIS 129 1HD HIS 129 22.727 8.875 9.574 1073 HD2 HIS 129 2HD HIS 129 25.263 6.801 12.134 1074 HE1 HIS 129 1HE HIS 129 21.388 6.925 10.427 1075 HE2 HIS 129 2HE HIS 129 23.025 5.557 11.765 Start of MODEL 19 1 1H MET 1 1HT MET 1 21.996 -5.766 4.928 2 2H MET 1 2HT MET 1 22.213 -6.980 6.087 3 3H MET 1 3HT MET 1 21.923 -5.385 6.581 4 HA MET 1 HA MET 1 19.715 -5.452 5.663 5 1HB MET 1 2HB MET 1 20.204 -7.002 3.818 6 2HB MET 1 1HB MET 1 20.439 -8.308 4.970 7 1HG MET 1 2HG MET 1 18.099 -8.167 5.622 8 2HG MET 1 1HG MET 1 17.858 -6.835 4.492 9 1HE MET 1 1HE MET 1 16.118 -9.545 4.591 10 2HE MET 1 2HE MET 1 15.923 -9.844 2.864 11 3HE MET 1 3HE MET 1 15.800 -8.202 3.493 12 H SER 2 H SER 2 18.825 -5.195 7.600 13 HA SER 2 HA SER 2 18.717 -7.532 9.377 14 1HB SER 2 2HB SER 2 19.114 -4.662 10.258 15 2HB SER 2 1HB SER 2 18.952 -6.058 11.323 16 HG SER 2 HG SER 2 21.053 -5.484 9.496 17 H ILE 3 H ILE 3 17.261 -4.425 8.472 18 HA ILE 3 HA ILE 3 14.865 -4.909 9.967 19 HB ILE 3 HB ILE 3 13.986 -2.901 8.992 20 1HG1 ILE 3 2HG1 ILE 3 16.344 -3.051 7.110 21 2HG1 ILE 3 1HG1 ILE 3 14.656 -3.249 6.678 22 1HG2 ILE 3 1HG2 ILE 3 16.926 -2.598 9.599 23 2HG2 ILE 3 2HG2 ILE 3 15.610 -2.610 10.775 24 3HG2 ILE 3 3HG2 ILE 3 15.739 -1.294 9.609 25 1HD1 ILE 3 1HD1 ILE 3 15.921 -0.715 7.697 26 2HD1 ILE 3 2HD1 ILE 3 14.225 -0.918 7.257 27 3HD1 ILE 3 3HD1 ILE 3 15.481 -1.060 6.025 28 H SER 4 H SER 4 12.748 -4.937 8.991 29 HA SER 4 HA SER 4 12.404 -5.884 6.310 30 1HB SER 4 2HB SER 4 11.820 -7.779 8.608 31 2HB SER 4 1HB SER 4 11.388 -8.053 6.921 32 HG SER 4 HG SER 4 14.023 -7.465 7.165 33 H THR 5 H THR 5 10.939 -4.283 6.003 34 HA THR 5 HA THR 5 8.852 -3.743 7.908 35 HB THR 5 HB THR 5 7.990 -2.170 6.196 36 HG1 THR 5 1HG THR 5 10.204 -3.128 4.647 37 1HG2 THR 5 1HG2 THR 5 9.896 -0.637 6.210 38 2HG2 THR 5 2HG2 THR 5 10.972 -1.963 6.649 39 3HG2 THR 5 3HG2 THR 5 9.722 -1.433 7.775 40 H SER 6 H SER 6 6.575 -3.974 7.497 41 HA SER 6 HA SER 6 5.845 -6.488 6.483 42 1HB SER 6 2HB SER 6 3.479 -5.464 6.719 43 2HB SER 6 1HB SER 6 4.465 -5.624 8.172 44 HG SER 6 HG SER 6 3.381 -3.521 7.794 45 H ALA 7 H ALA 7 5.758 -3.256 5.127 46 HA ALA 7 HA ALA 7 4.174 -3.708 2.883 47 1HB ALA 7 1HB ALA 7 4.859 -1.480 3.666 48 2HB ALA 7 2HB ALA 7 5.178 -1.713 1.947 49 3HB ALA 7 3HB ALA 7 6.502 -1.803 3.110 50 H GLU 8 H GLU 8 7.738 -3.918 3.166 51 HA GLU 8 HA GLU 8 8.109 -4.648 0.459 52 1HB GLU 8 2HB GLU 8 10.386 -5.139 1.048 53 2HB GLU 8 1HB GLU 8 9.886 -3.690 1.907 54 1HG GLU 8 2HG GLU 8 9.483 -5.104 3.911 55 2HG GLU 8 1HG GLU 8 10.175 -6.462 3.026 56 H VAL 9 H VAL 9 7.566 -6.512 3.387 57 HA VAL 9 HA VAL 9 8.188 -9.053 2.334 58 HB VAL 9 HB VAL 9 6.315 -8.279 4.581 59 1HG1 VAL 9 1HG1 VAL 9 6.472 -10.627 5.299 60 2HG1 VAL 9 2HG1 VAL 9 7.372 -11.009 3.831 61 3HG1 VAL 9 3HG1 VAL 9 5.694 -10.477 3.722 62 1HG2 VAL 9 1HG2 VAL 9 9.151 -9.319 4.578 63 2HG2 VAL 9 2HG2 VAL 9 8.171 -9.029 6.014 64 3HG2 VAL 9 3HG2 VAL 9 8.639 -7.680 4.980 65 H TYR 10 H TYR 10 5.064 -7.348 2.638 66 HA TYR 10 HA TYR 10 3.606 -9.396 1.300 67 1HB TYR 10 2HB TYR 10 2.918 -6.506 1.850 68 2HB TYR 10 1HB TYR 10 1.801 -7.663 1.135 69 HD1 TYR 10 2HD TYR 10 2.075 -10.063 2.648 70 HD2 TYR 10 1HD TYR 10 2.292 -6.043 4.031 71 HE1 TYR 10 2HE TYR 10 1.398 -10.803 4.895 72 HE2 TYR 10 1HE TYR 10 1.621 -6.774 6.278 73 HH TYR 10 HH TYR 10 1.647 -10.004 7.243 74 H TYR 11 H TYR 11 5.342 -6.555 0.238 75 HA TYR 11 HA TYR 11 4.399 -6.462 -2.413 76 1HB TYR 11 2HB TYR 11 5.700 -4.621 -1.517 77 2HB TYR 11 1HB TYR 11 7.088 -5.673 -1.265 78 HD1 TYR 11 1HD TYR 11 4.949 -4.158 -3.896 79 HD2 TYR 11 2HD TYR 11 8.671 -6.007 -2.980 80 HE1 TYR 11 1HE TYR 11 5.776 -3.593 -6.144 81 HE2 TYR 11 2HE TYR 11 9.508 -5.444 -5.221 82 HH TYR 11 HH TYR 11 8.623 -4.943 -7.441 83 H GLU 12 H GLU 12 7.092 -8.238 -0.923 84 HA GLU 12 HA GLU 12 7.978 -9.374 -3.366 85 1HB GLU 12 2HB GLU 12 9.361 -9.192 -1.274 86 2HB GLU 12 1HB GLU 12 8.414 -10.519 -0.606 87 1HG GLU 12 2HG GLU 12 9.156 -11.991 -2.368 88 2HG GLU 12 1HG GLU 12 10.019 -10.670 -3.149 89 H GLU 13 H GLU 13 5.619 -10.362 -0.952 90 HA GLU 13 HA GLU 13 5.115 -12.962 -1.915 91 1HB GLU 13 2HB GLU 13 3.367 -10.962 -0.487 92 2HB GLU 13 1HB GLU 13 2.790 -12.565 -0.926 93 1HG GLU 13 2HG GLU 13 5.199 -12.037 0.795 94 2HG GLU 13 1HG GLU 13 3.582 -12.371 1.413 95 H ALA 14 H ALA 14 3.931 -9.815 -2.963 96 HA ALA 14 HA ALA 14 2.091 -10.767 -4.878 97 1HB ALA 14 1HB ALA 14 2.173 -8.433 -4.115 98 2HB ALA 14 2HB ALA 14 2.255 -8.558 -5.873 99 3HB ALA 14 3HB ALA 14 3.717 -8.229 -4.942 100 H GLU 15 H GLU 15 5.531 -9.981 -5.036 101 HA GLU 15 HA GLU 15 5.947 -10.626 -7.748 102 1HB GLU 15 2HB GLU 15 7.921 -10.890 -5.470 103 2HB GLU 15 1HB GLU 15 8.306 -10.736 -7.177 104 1HG GLU 15 2HG GLU 15 6.928 -8.629 -5.532 105 2HG GLU 15 1HG GLU 15 8.651 -8.660 -5.899 106 H GLU 16 H GLU 16 5.875 -12.543 -4.814 107 HA GLU 16 HA GLU 16 6.870 -14.956 -5.749 108 1HB GLU 16 2HB GLU 16 4.824 -14.306 -3.660 109 2HB GLU 16 1HB GLU 16 5.433 -15.917 -3.922 110 1HG GLU 16 2HG GLU 16 7.158 -13.567 -3.223 111 2HG GLU 16 1HG GLU 16 6.501 -14.700 -2.044 112 H PHE 17 H PHE 17 3.512 -13.848 -5.530 113 HA PHE 17 HA PHE 17 2.475 -16.104 -6.933 114 1HB PHE 17 2HB PHE 17 1.236 -13.433 -6.267 115 2HB PHE 17 1HB PHE 17 0.361 -14.745 -7.053 116 HD1 PHE 17 1HD PHE 17 0.490 -17.053 -5.810 117 HD2 PHE 17 2HD PHE 17 1.155 -13.275 -3.972 118 HE1 PHE 17 1HE PHE 17 -0.025 -18.037 -3.616 119 HE2 PHE 17 2HE PHE 17 0.644 -14.251 -1.772 120 HZ PHE 17 HZ PHE 17 0.053 -16.635 -1.590 121 H LEU 18 H LEU 18 3.552 -12.917 -7.901 122 HA LEU 18 HA LEU 18 2.639 -12.912 -10.552 123 1HB LEU 18 2HB LEU 18 3.672 -10.973 -9.420 124 2HB LEU 18 1HB LEU 18 5.220 -11.793 -9.438 125 HG LEU 18 HG LEU 18 5.130 -11.759 -11.943 126 1HD1 LEU 18 1HD1 LEU 18 2.720 -11.527 -12.208 127 2HD1 LEU 18 2HD1 LEU 18 3.574 -10.209 -13.014 128 3HD1 LEU 18 3HD1 LEU 18 2.781 -9.931 -11.462 129 1HD2 LEU 18 1HD2 LEU 18 5.702 -9.370 -12.116 130 2HD2 LEU 18 2HD2 LEU 18 6.453 -10.142 -10.721 131 3HD2 LEU 18 3HD2 LEU 18 5.040 -9.111 -10.501 132 H SER 19 H SER 19 5.456 -14.373 -9.036 133 HA SER 19 HA SER 19 6.479 -15.430 -11.520 134 1HB SER 19 2HB SER 19 7.291 -16.043 -8.666 135 2HB SER 19 1HB SER 19 8.205 -16.453 -10.121 136 HG SER 19 HG SER 19 7.701 -13.911 -8.991 137 H LYS 20 H LYS 20 4.459 -16.484 -8.898 138 HA LYS 20 HA LYS 20 4.469 -19.251 -9.380 139 1HB LYS 20 2HB LYS 20 3.521 -18.123 -7.357 140 2HB LYS 20 1HB LYS 20 2.176 -17.571 -8.343 141 1HG LYS 20 2HG LYS 20 1.531 -19.504 -7.059 142 2HG LYS 20 1HG LYS 20 1.556 -19.905 -8.777 143 1HD LYS 20 2HD LYS 20 3.721 -20.977 -8.515 144 2HD LYS 20 1HD LYS 20 3.759 -20.523 -6.809 145 1HE LYS 20 2HE LYS 20 1.776 -21.890 -6.397 146 2HE LYS 20 1HE LYS 20 1.719 -22.330 -8.104 147 1HZ LYS 20 1HZ LYS 20 3.894 -23.372 -7.856 148 2HZ LYS 20 2HZ LYS 20 2.748 -24.064 -6.815 149 3HZ LYS 20 3HZ LYS 20 3.907 -22.985 -6.202 150 H GLY 21 H GLY 21 2.560 -16.617 -10.740 151 1HA GLY 21 2HA GLY 21 2.147 -16.912 -13.181 152 2HA GLY 21 1HA GLY 21 1.588 -18.527 -12.775 153 H ASP 22 H ASP 22 0.716 -16.179 -10.473 154 HA ASP 22 HA ASP 22 -1.953 -15.965 -11.708 155 1HB ASP 22 2HB ASP 22 -1.858 -17.439 -9.667 156 2HB ASP 22 1HB ASP 22 -1.398 -16.014 -8.737 157 H LEU 23 H LEU 23 -2.475 -13.977 -12.243 158 HA LEU 23 HA LEU 23 -0.853 -11.772 -11.295 159 1HB LEU 23 2HB LEU 23 -3.160 -11.800 -13.245 160 2HB LEU 23 1HB LEU 23 -2.088 -10.445 -12.949 161 HG LEU 23 HG LEU 23 -1.256 -13.098 -14.129 162 1HD1 LEU 23 1HD1 LEU 23 -0.970 -11.833 -16.200 163 2HD1 LEU 23 2HD1 LEU 23 -1.618 -10.395 -15.413 164 3HD1 LEU 23 3HD1 LEU 23 -2.647 -11.806 -15.653 165 1HD2 LEU 23 1HD2 LEU 23 0.532 -12.049 -12.845 166 2HD2 LEU 23 2HD2 LEU 23 0.294 -10.542 -13.729 167 3HD2 LEU 23 3HD2 LEU 23 0.869 -11.979 -14.575 168 H VAL 24 H VAL 24 -4.000 -13.081 -10.697 169 HA VAL 24 HA VAL 24 -5.225 -10.645 -9.850 170 HB VAL 24 HB VAL 24 -6.102 -13.478 -9.270 171 1HG1 VAL 24 1HG1 VAL 24 -8.333 -12.470 -9.036 172 2HG1 VAL 24 2HG1 VAL 24 -7.616 -10.871 -9.243 173 3HG1 VAL 24 3HG1 VAL 24 -7.193 -11.853 -7.841 174 1HG2 VAL 24 1HG2 VAL 24 -7.571 -13.213 -11.228 175 2HG2 VAL 24 2HG2 VAL 24 -5.863 -13.151 -11.661 176 3HG2 VAL 24 3HG2 VAL 24 -6.805 -11.662 -11.573 177 H GLN 25 H GLN 25 -4.013 -13.511 -8.092 178 HA GLN 25 HA GLN 25 -4.559 -12.384 -5.532 179 1HB GLN 25 2HB GLN 25 -2.710 -14.645 -6.297 180 2HB GLN 25 1HB GLN 25 -3.166 -14.228 -4.650 181 1HG GLN 25 2HG GLN 25 -5.576 -14.561 -5.411 182 2HG GLN 25 1HG GLN 25 -4.889 -15.338 -6.838 183 1HE2 GLN 25 1HE2 GLN 25 -6.555 -16.444 -4.729 184 2HE2 GLN 25 2HE2 GLN 25 -5.657 -17.760 -4.054 185 H ALA 26 H ALA 26 -1.849 -12.224 -7.709 186 HA ALA 26 HA ALA 26 0.081 -11.162 -5.961 187 1HB ALA 26 1HB ALA 26 -0.318 -10.534 -8.888 188 2HB ALA 26 2HB ALA 26 0.596 -11.898 -8.246 189 3HB ALA 26 3HB ALA 26 1.149 -10.250 -7.952 190 H CYS 27 H CYS 27 -2.496 -9.632 -7.842 191 HA CYS 27 HA CYS 27 -1.913 -6.968 -7.151 192 1HB CYS 27 2HB CYS 27 -4.565 -8.236 -7.857 193 2HB CYS 27 1HB CYS 27 -4.248 -6.504 -7.820 194 HG CYS 27 HG CYS 27 -2.781 -8.749 -9.951 195 H GLU 28 H GLU 28 -3.883 -9.435 -5.608 196 HA GLU 28 HA GLU 28 -5.078 -7.840 -3.626 197 1HB GLU 28 2HB GLU 28 -5.631 -10.245 -4.338 198 2HB GLU 28 1HB GLU 28 -4.311 -10.745 -3.294 199 1HG GLU 28 2HG GLU 28 -6.541 -9.058 -2.229 200 2HG GLU 28 1HG GLU 28 -6.731 -10.800 -2.407 201 H LYS 29 H LYS 29 -2.005 -9.585 -3.742 202 HA LYS 29 HA LYS 29 -1.297 -8.994 -1.038 203 1HB LYS 29 2HB LYS 29 0.404 -9.912 -3.359 204 2HB LYS 29 1HB LYS 29 0.963 -9.800 -1.693 205 1HG LYS 29 2HG LYS 29 -1.272 -11.551 -2.694 206 2HG LYS 29 1HG LYS 29 0.356 -12.084 -2.267 207 1HD LYS 29 2HD LYS 29 0.006 -11.464 0.036 208 2HD LYS 29 1HD LYS 29 -1.552 -10.736 -0.355 209 1HE LYS 29 2HE LYS 29 -0.861 -13.661 -0.635 210 2HE LYS 29 1HE LYS 29 -1.795 -12.952 0.682 211 1HZ LYS 29 1HZ LYS 29 -3.462 -12.245 -0.933 212 2HZ LYS 29 2HZ LYS 29 -3.240 -13.928 -0.974 213 3HZ LYS 29 3HZ LYS 29 -2.566 -12.959 -2.182 214 H TYR 30 H TYR 30 -0.744 -7.399 -4.129 215 HA TYR 30 HA TYR 30 1.084 -5.451 -3.264 216 1HB TYR 30 2HB TYR 30 -1.013 -5.483 -5.414 217 2HB TYR 30 1HB TYR 30 -0.159 -3.991 -5.049 218 HD1 TYR 30 1HD TYR 30 2.576 -4.746 -4.668 219 HD2 TYR 30 2HD TYR 30 -0.256 -6.343 -7.402 220 HE1 TYR 30 1HE TYR 30 4.406 -5.393 -6.179 221 HE2 TYR 30 2HE TYR 30 1.564 -7.010 -8.912 222 HH TYR 30 HH TYR 30 4.764 -7.157 -8.016 223 H TYR 31 H TYR 31 -2.413 -5.671 -2.992 224 HA TYR 31 HA TYR 31 -2.867 -3.081 -1.936 225 1HB TYR 31 2HB TYR 31 -4.649 -4.479 -2.910 226 2HB TYR 31 1HB TYR 31 -4.480 -5.620 -1.582 227 HD1 TYR 31 2HD TYR 31 -5.372 -2.098 -2.353 228 HD2 TYR 31 1HD TYR 31 -5.703 -5.326 0.392 229 HE1 TYR 31 2HE TYR 31 -7.047 -0.830 -1.079 230 HE2 TYR 31 1HE TYR 31 -7.378 -4.067 1.680 231 HH TYR 31 HH TYR 31 -8.750 -1.091 0.495 232 H LYS 32 H LYS 32 -2.299 -6.233 -0.447 233 HA LYS 32 HA LYS 32 -2.557 -5.426 2.234 234 1HB LYS 32 2HB LYS 32 -1.042 -7.693 0.947 235 2HB LYS 32 1HB LYS 32 -1.139 -7.481 2.691 236 1HG LYS 32 2HG LYS 32 -3.570 -7.699 0.939 237 2HG LYS 32 1HG LYS 32 -2.784 -9.095 1.680 238 1HD LYS 32 2HD LYS 32 -3.228 -8.294 3.869 239 2HD LYS 32 1HD LYS 32 -3.716 -6.710 3.265 240 1HE LYS 32 2HE LYS 32 -5.598 -8.187 3.985 241 2HE LYS 32 1HE LYS 32 -5.715 -7.603 2.326 242 1HZ LYS 32 1HZ LYS 32 -5.174 -9.676 1.471 243 2HZ LYS 32 2HZ LYS 32 -6.200 -10.052 2.773 244 3HZ LYS 32 3HZ LYS 32 -4.525 -10.239 2.936 245 H ALA 33 H ALA 33 0.150 -5.317 0.004 246 HA ALA 33 HA ALA 33 2.063 -4.466 1.956 247 1HB ALA 33 1HB ALA 33 2.724 -5.542 -0.152 248 2HB ALA 33 2HB ALA 33 3.490 -3.966 0.045 249 3HB ALA 33 3HB ALA 33 2.115 -4.150 -1.046 250 H ALA 34 H ALA 34 -0.156 -2.906 -0.255 251 HA ALA 34 HA ALA 34 0.844 -0.284 -0.053 252 1HB ALA 34 1HB ALA 34 -0.646 -1.007 -1.853 253 2HB ALA 34 2HB ALA 34 -1.277 0.412 -1.017 254 3HB ALA 34 3HB ALA 34 -1.962 -1.179 -0.692 255 H GLU 35 H GLU 35 -1.808 -1.917 1.703 256 HA GLU 35 HA GLU 35 -2.624 0.350 3.137 257 1HB GLU 35 2HB GLU 35 -3.787 -1.183 4.641 258 2HB GLU 35 1HB GLU 35 -4.008 -1.674 2.968 259 1HG GLU 35 2HG GLU 35 -2.485 -3.480 3.209 260 2HG GLU 35 1HG GLU 35 -1.951 -2.900 4.784 261 H GLU 36 H GLU 36 -0.259 -2.163 3.926 262 HA GLU 36 HA GLU 36 0.353 -1.226 6.519 263 1HB GLU 36 2HB GLU 36 1.734 -3.038 4.570 264 2HB GLU 36 1HB GLU 36 2.553 -2.538 6.043 265 1HG GLU 36 2HG GLU 36 -0.119 -3.929 5.944 266 2HG GLU 36 1HG GLU 36 1.428 -4.721 6.249 267 H ALA 37 H ALA 37 1.677 -0.508 3.334 268 HA ALA 37 HA ALA 37 3.834 1.101 4.220 269 1HB ALA 37 1HB ALA 37 2.296 1.267 1.622 270 2HB ALA 37 2HB ALA 37 3.676 0.215 1.933 271 3HB ALA 37 3HB ALA 37 3.884 1.967 1.940 272 H ILE 38 H ILE 38 0.512 1.943 3.193 273 HA ILE 38 HA ILE 38 0.644 4.693 3.567 274 HB ILE 38 HB ILE 38 -1.698 2.860 4.119 275 1HG1 ILE 38 2HG1 ILE 38 -0.890 2.740 1.811 276 2HG1 ILE 38 1HG1 ILE 38 -2.454 3.544 1.875 277 1HG2 ILE 38 1HG2 ILE 38 -1.651 5.854 3.767 278 2HG2 ILE 38 2HG2 ILE 38 -2.028 4.976 5.249 279 3HG2 ILE 38 3HG2 ILE 38 -3.105 4.858 3.858 280 1HD1 ILE 38 1HD1 ILE 38 -1.331 5.712 1.684 281 2HD1 ILE 38 2HD1 ILE 38 -0.968 4.655 0.319 282 3HD1 ILE 38 3HD1 ILE 38 0.225 4.889 1.595 283 H LYS 39 H LYS 39 -0.171 2.177 5.930 284 HA LYS 39 HA LYS 39 -0.550 3.695 8.207 285 1HB LYS 39 2HB LYS 39 0.761 0.994 7.861 286 2HB LYS 39 1HB LYS 39 0.362 1.677 9.431 287 1HG LYS 39 2HG LYS 39 -1.959 1.603 8.975 288 2HG LYS 39 1HG LYS 39 -1.681 1.252 7.271 289 1HD LYS 39 2HD LYS 39 -2.404 -0.721 8.597 290 2HD LYS 39 1HD LYS 39 -0.855 -0.940 7.787 291 1HE LYS 39 2HE LYS 39 -0.881 0.051 10.598 292 2HE LYS 39 1HE LYS 39 -1.206 -1.655 10.300 293 1HZ LYS 39 1HZ LYS 39 1.184 -0.261 9.241 294 2HZ LYS 39 2HZ LYS 39 0.904 -1.932 9.294 295 3HZ LYS 39 3HZ LYS 39 1.177 -1.063 10.730 296 H LEU 40 H LEU 40 2.470 2.623 6.746 297 HA LEU 40 HA LEU 40 4.152 3.534 8.844 298 1HB LEU 40 2HB LEU 40 4.625 2.616 6.022 299 2HB LEU 40 1HB LEU 40 5.931 3.137 7.048 300 HG LEU 40 HG LEU 40 4.081 0.840 7.599 301 1HD1 LEU 40 1HD1 LEU 40 6.994 0.881 6.846 302 2HD1 LEU 40 2HD1 LEU 40 5.660 0.355 5.819 303 3HD1 LEU 40 3HD1 LEU 40 6.061 -0.550 7.278 304 1HD2 LEU 40 1HD2 LEU 40 6.445 1.852 9.166 305 2HD2 LEU 40 2HD2 LEU 40 5.570 0.356 9.488 306 3HD2 LEU 40 3HD2 LEU 40 4.755 1.909 9.667 307 H LEU 41 H LEU 41 3.092 4.907 5.767 308 HA LEU 41 HA LEU 41 4.810 7.179 5.873 309 1HB LEU 41 2HB LEU 41 2.417 6.425 4.256 310 2HB LEU 41 1HB LEU 41 2.936 8.097 4.257 311 HG LEU 41 HG LEU 41 5.210 7.287 3.507 312 1HD1 LEU 41 1HD1 LEU 41 5.008 4.969 4.201 313 2HD1 LEU 41 2HD1 LEU 41 5.343 5.095 2.473 314 3HD1 LEU 41 3HD1 LEU 41 3.711 4.725 3.030 315 1HD2 LEU 41 1HD2 LEU 41 4.508 7.029 1.182 316 2HD2 LEU 41 2HD2 LEU 41 3.601 8.309 1.988 317 3HD2 LEU 41 3HD2 LEU 41 2.853 6.736 1.711 318 H VAL 42 H VAL 42 1.597 6.486 7.092 319 HA VAL 42 HA VAL 42 0.799 9.106 7.743 320 HB VAL 42 HB VAL 42 0.086 6.475 9.053 321 1HG1 VAL 42 1HG1 VAL 42 -0.332 8.166 10.684 322 2HG1 VAL 42 2HG1 VAL 42 -1.883 7.760 9.948 323 3HG1 VAL 42 3HG1 VAL 42 -1.041 9.234 9.477 324 1HG2 VAL 42 1HG2 VAL 42 -0.587 6.699 6.712 325 2HG2 VAL 42 2HG2 VAL 42 -1.398 8.220 7.087 326 3HG2 VAL 42 3HG2 VAL 42 -1.988 6.710 7.782 327 H ILE 43 H ILE 43 2.849 6.793 9.426 328 HA ILE 43 HA ILE 43 2.998 8.101 11.904 329 HB ILE 43 HB ILE 43 5.107 6.403 10.556 330 1HG1 ILE 43 2HG1 ILE 43 2.892 5.308 10.717 331 2HG1 ILE 43 1HG1 ILE 43 4.097 4.523 11.728 332 1HG2 ILE 43 1HG2 ILE 43 6.006 7.657 12.443 333 2HG2 ILE 43 2HG2 ILE 43 5.906 5.935 12.825 334 3HG2 ILE 43 3HG2 ILE 43 4.708 7.055 13.473 335 1HD1 ILE 43 1HD1 ILE 43 1.971 6.444 12.661 336 2HD1 ILE 43 2HD1 ILE 43 3.169 5.656 13.688 337 3HD1 ILE 43 3HD1 ILE 43 1.952 4.691 12.857 338 H GLU 44 H GLU 44 4.879 8.487 8.937 339 HA GLU 44 HA GLU 44 6.861 10.191 10.039 340 1HB GLU 44 2HB GLU 44 5.996 9.560 7.232 341 2HB GLU 44 1HB GLU 44 7.248 10.751 7.559 342 1HG GLU 44 2HG GLU 44 7.323 7.877 8.444 343 2HG GLU 44 1HG GLU 44 8.149 8.529 7.029 344 H ASN 45 H ASN 45 3.820 10.814 8.377 345 HA ASN 45 HA ASN 45 4.306 13.679 8.408 346 1HB ASN 45 2HB ASN 45 2.033 12.000 7.344 347 2HB ASN 45 1HB ASN 45 2.045 13.757 7.291 348 1HD2 ASN 45 1HD2 ASN 45 3.451 10.836 6.044 349 2HD2 ASN 45 2HD2 ASN 45 4.271 11.568 4.710 350 H ASN 46 H ASN 46 2.869 11.310 10.317 351 HA ASN 46 HA ASN 46 1.596 11.264 12.160 352 1HB ASN 46 2HB ASN 46 3.371 12.788 12.992 353 2HB ASN 46 1HB ASN 46 2.388 14.162 12.493 354 1HD2 ASN 46 1HD2 ASN 46 2.603 11.442 14.672 355 2HD2 ASN 46 2HD2 ASN 46 1.461 12.027 15.835 356 H LEU 47 H LEU 47 -0.223 10.996 10.688 357 HA LEU 47 HA LEU 47 -2.030 13.245 10.503 358 1HB LEU 47 2HB LEU 47 -2.385 10.333 9.821 359 2HB LEU 47 1HB LEU 47 -3.627 11.544 9.600 360 HG LEU 47 HG LEU 47 -0.967 11.419 8.188 361 1HD1 LEU 47 1HD1 LEU 47 -3.796 11.086 7.198 362 2HD1 LEU 47 2HD1 LEU 47 -2.606 9.800 7.400 363 3HD1 LEU 47 3HD1 LEU 47 -2.342 11.066 6.200 364 1HD2 LEU 47 1HD2 LEU 47 -1.775 13.356 6.904 365 2HD2 LEU 47 2HD2 LEU 47 -1.554 13.739 8.611 366 3HD2 LEU 47 3HD2 LEU 47 -3.175 13.468 7.971 367 H LYS 48 H LYS 48 -2.393 13.834 12.564 368 HA LYS 48 HA LYS 48 -2.826 12.041 14.710 369 1HB LYS 48 2HB LYS 48 -1.860 14.290 14.945 370 2HB LYS 48 1HB LYS 48 -3.398 14.998 14.481 371 1HG LYS 48 2HG LYS 48 -4.435 14.278 16.481 372 2HG LYS 48 1HG LYS 48 -3.056 13.254 16.902 373 1HD LYS 48 2HD LYS 48 -2.929 16.255 16.622 374 2HD LYS 48 1HD LYS 48 -3.129 15.405 18.157 375 1HE LYS 48 2HE LYS 48 -0.996 14.379 17.959 376 2HE LYS 48 1HE LYS 48 -0.827 14.899 16.284 377 1HZ LYS 48 1HZ LYS 48 0.350 16.175 18.217 378 2HZ LYS 48 2HZ LYS 48 -1.153 16.950 18.353 379 3HZ LYS 48 3HZ LYS 48 -0.297 17.011 16.892 380 H GLU 49 H GLU 49 -4.977 13.924 12.644 381 HA GLU 49 HA GLU 49 -7.366 13.438 14.046 382 1HB GLU 49 2HB GLU 49 -7.136 15.148 12.298 383 2HB GLU 49 1HB GLU 49 -6.966 13.887 11.091 384 1HG GLU 49 2HG GLU 49 -9.228 13.150 11.463 385 2HG GLU 49 1HG GLU 49 -9.410 14.286 12.799 386 H ILE 50 H ILE 50 -5.585 11.511 11.738 387 HA ILE 50 HA ILE 50 -7.742 9.607 11.426 388 HB ILE 50 HB ILE 50 -4.935 9.679 10.316 389 1HG1 ILE 50 2HG1 ILE 50 -6.226 9.702 8.138 390 2HG1 ILE 50 1HG1 ILE 50 -7.687 9.921 9.088 391 1HG2 ILE 50 1HG2 ILE 50 -5.475 7.352 10.793 392 2HG2 ILE 50 2HG2 ILE 50 -5.463 7.650 9.055 393 3HG2 ILE 50 3HG2 ILE 50 -6.997 7.513 9.913 394 1HD1 ILE 50 1HD1 ILE 50 -6.786 12.018 9.964 395 2HD1 ILE 50 2HD1 ILE 50 -6.905 12.028 8.205 396 3HD1 ILE 50 3HD1 ILE 50 -5.340 11.796 8.982 397 H THR 51 H THR 51 -4.547 9.719 12.974 398 HA THR 51 HA THR 51 -4.449 7.019 13.725 399 HB THR 51 HB THR 51 -2.819 7.877 15.517 400 HG1 THR 51 1HG THR 51 -2.864 10.264 14.008 401 1HG2 THR 51 1HG2 THR 51 -1.078 8.282 13.852 402 2HG2 THR 51 2HG2 THR 51 -2.307 8.532 12.613 403 3HG2 THR 51 3HG2 THR 51 -2.118 6.946 13.359 404 H ASN 52 H ASN 52 -5.807 9.827 15.390 405 HA ASN 52 HA ASN 52 -6.367 8.450 17.811 406 1HB ASN 52 2HB ASN 52 -7.443 11.003 16.624 407 2HB ASN 52 1HB ASN 52 -8.014 10.375 18.167 408 1HD2 ASN 52 1HD2 ASN 52 -6.583 12.851 17.602 409 2HD2 ASN 52 2HD2 ASN 52 -5.144 12.802 18.559 410 H ASN 53 H ASN 53 -7.996 8.637 14.748 411 HA ASN 53 HA ASN 53 -10.445 7.482 15.755 412 1HB ASN 53 2HB ASN 53 -9.428 8.269 13.042 413 2HB ASN 53 1HB ASN 53 -10.850 7.253 13.195 414 1HD2 ASN 53 1HD2 ASN 53 -10.561 9.956 12.153 415 2HD2 ASN 53 2HD2 ASN 53 -11.652 10.936 13.066 416 H VAL 54 H VAL 54 -7.404 6.414 14.655 417 HA VAL 54 HA VAL 54 -8.161 3.778 13.840 418 HB VAL 54 HB VAL 54 -5.485 4.914 14.690 419 1HG1 VAL 54 1HG1 VAL 54 -5.539 2.488 15.075 420 2HG1 VAL 54 2HG1 VAL 54 -4.469 2.907 13.736 421 3HG1 VAL 54 3HG1 VAL 54 -6.069 2.241 13.411 422 1HG2 VAL 54 1HG2 VAL 54 -4.983 4.861 12.297 423 2HG2 VAL 54 2HG2 VAL 54 -6.396 5.865 12.630 424 3HG2 VAL 54 3HG2 VAL 54 -6.600 4.243 11.971 425 H LYS 55 H LYS 55 -7.413 5.346 16.826 426 HA LYS 55 HA LYS 55 -6.881 3.067 18.395 427 1HB LYS 55 2HB LYS 55 -7.704 5.893 19.013 428 2HB LYS 55 1HB LYS 55 -7.399 4.702 20.252 429 1HG LYS 55 2HG LYS 55 -5.108 4.431 19.470 430 2HG LYS 55 1HG LYS 55 -5.414 5.583 18.173 431 1HD LYS 55 2HD LYS 55 -5.882 7.312 19.905 432 2HD LYS 55 1HD LYS 55 -5.411 6.140 21.139 433 1HE LYS 55 2HE LYS 55 -3.190 5.966 20.122 434 2HE LYS 55 1HE LYS 55 -3.660 7.128 18.886 435 1HZ LYS 55 1HZ LYS 55 -2.404 8.240 20.563 436 2HZ LYS 55 2HZ LYS 55 -3.393 7.643 21.800 437 3HZ LYS 55 3HZ LYS 55 -4.009 8.763 20.689 438 H ASN 56 H ASN 56 -9.680 4.091 16.955 439 HA ASN 56 HA ASN 56 -11.688 3.546 18.815 440 1HB ASN 56 2HB ASN 56 -12.296 4.605 16.758 441 2HB ASN 56 1HB ASN 56 -11.645 3.271 15.810 442 1HD2 ASN 56 1HD2 ASN 56 -14.293 4.349 17.809 443 2HD2 ASN 56 2HD2 ASN 56 -15.384 3.074 17.379 444 H LYS 57 H LYS 57 -10.468 1.342 16.287 445 HA LYS 57 HA LYS 57 -11.532 -0.880 17.849 446 1HB LYS 57 2HB LYS 57 -11.322 -0.290 15.009 447 2HB LYS 57 1HB LYS 57 -10.768 -1.904 15.419 448 1HG LYS 57 2HG LYS 57 -13.052 -1.808 16.831 449 2HG LYS 57 1HG LYS 57 -13.467 -0.750 15.483 450 1HD LYS 57 2HD LYS 57 -14.087 -3.062 15.007 451 2HD LYS 57 1HD LYS 57 -12.838 -2.494 13.899 452 1HE LYS 57 2HE LYS 57 -12.342 -4.755 14.638 453 2HE LYS 57 1HE LYS 57 -11.133 -3.631 15.260 454 1HZ LYS 57 1HZ LYS 57 -12.282 -3.632 17.391 455 2HZ LYS 57 2HZ LYS 57 -11.830 -5.205 16.952 456 3HZ LYS 57 3HZ LYS 57 -13.443 -4.710 16.788 457 H GLY 58 H GLY 58 -8.696 0.642 17.598 458 1HA GLY 58 2HA GLY 58 -6.715 -0.168 18.602 459 2HA GLY 58 1HA GLY 58 -7.232 -1.807 18.252 460 H ARG 59 H ARG 59 -7.793 -1.557 15.552 461 HA ARG 59 HA ARG 59 -5.221 -0.752 14.394 462 1HB ARG 59 2HB ARG 59 -5.693 -3.277 14.410 463 2HB ARG 59 1HB ARG 59 -6.969 -2.940 13.244 464 1HG ARG 59 2HG ARG 59 -5.184 -1.810 11.838 465 2HG ARG 59 1HG ARG 59 -4.005 -2.534 12.927 466 1HD ARG 59 2HD ARG 59 -4.931 -4.762 12.362 467 2HD ARG 59 1HD ARG 59 -6.007 -3.984 11.201 468 HE ARG 59 HE ARG 59 -3.065 -4.147 11.000 469 1HH1 ARG 59 1HH1 ARG 59 -6.182 -3.495 9.510 470 2HH1 ARG 59 2HH1 ARG 59 -5.537 -3.410 7.900 471 1HH2 ARG 59 1HH2 ARG 59 -2.215 -3.985 8.850 472 2HH2 ARG 59 2HH2 ARG 59 -3.312 -3.693 7.522 473 H TRP 60 H TRP 60 -5.346 -0.108 12.200 474 HA TRP 60 HA TRP 60 -7.081 1.923 11.597 475 1HB TRP 60 2HB TRP 60 -5.651 0.176 9.582 476 2HB TRP 60 1HB TRP 60 -6.159 1.844 9.356 477 HD1 TRP 60 HD TRP 60 -3.703 -0.118 11.653 478 HE1 TRP 60 1HE TRP 60 -1.667 1.385 12.093 479 HE3 TRP 60 3HE TRP 60 -5.230 4.044 9.115 480 HZ2 TRP 60 2HZ TRP 60 -0.814 4.001 11.433 481 HZ3 TRP 60 3HZ TRP 60 -3.740 6.002 9.064 482 HH2 TRP 60 HH TRP 60 -1.583 5.973 10.199 483 H LYS 61 H LYS 61 -9.185 1.890 11.170 484 HA LYS 61 HA LYS 61 -10.608 -0.384 10.230 485 1HB LYS 61 2HB LYS 61 -11.405 2.535 10.181 486 2HB LYS 61 1HB LYS 61 -12.484 1.182 9.883 487 1HG LYS 61 2HG LYS 61 -12.069 0.407 12.204 488 2HG LYS 61 1HG LYS 61 -11.117 1.871 12.477 489 1HD LYS 61 2HD LYS 61 -13.370 2.221 13.293 490 2HD LYS 61 1HD LYS 61 -13.107 3.225 11.864 491 1HE LYS 61 2HE LYS 61 -14.158 1.324 10.535 492 2HE LYS 61 1HE LYS 61 -14.665 0.661 12.087 493 1HZ LYS 61 1HZ LYS 61 -15.760 2.874 12.485 494 2HZ LYS 61 2HZ LYS 61 -16.457 1.913 11.282 495 3HZ LYS 61 3HZ LYS 61 -15.481 3.230 10.849 496 H SER 62 H SER 62 -11.746 -0.488 8.154 497 HA SER 62 HA SER 62 -10.120 -0.235 5.938 498 1HB SER 62 2HB SER 62 -13.127 -0.100 5.834 499 2HB SER 62 1HB SER 62 -12.032 -0.806 4.646 500 HG SER 62 HG SER 62 -12.814 -2.499 5.805 501 H GLU 63 H GLU 63 -12.689 1.935 7.069 502 HA GLU 63 HA GLU 63 -12.575 3.812 5.013 503 1HB GLU 63 2HB GLU 63 -13.653 5.345 6.615 504 2HB GLU 63 1HB GLU 63 -14.406 3.758 6.592 505 1HG GLU 63 2HG GLU 63 -13.308 3.151 8.638 506 2HG GLU 63 1HG GLU 63 -12.386 4.654 8.631 507 H ASN 64 H ASN 64 -10.592 3.507 7.918 508 HA ASN 64 HA ASN 64 -9.531 6.140 7.771 509 1HB ASN 64 2HB ASN 64 -8.794 3.684 9.344 510 2HB ASN 64 1HB ASN 64 -7.807 5.131 9.393 511 1HD2 ASN 64 1HD2 ASN 64 -9.190 3.937 11.571 512 2HD2 ASN 64 2HD2 ASN 64 -10.339 5.085 12.152 513 H LEU 65 H LEU 65 -8.720 3.089 6.344 514 HA LEU 65 HA LEU 65 -6.055 3.730 5.602 515 1HB LEU 65 2HB LEU 65 -8.034 1.814 4.363 516 2HB LEU 65 1HB LEU 65 -6.336 1.905 3.929 517 HG LEU 65 HG LEU 65 -7.399 1.184 6.661 518 1HD1 LEU 65 1HD1 LEU 65 -6.202 -0.537 4.497 519 2HD1 LEU 65 2HD1 LEU 65 -7.877 -0.558 5.051 520 3HD1 LEU 65 3HD1 LEU 65 -6.584 -1.068 6.135 521 1HD2 LEU 65 1HD2 LEU 65 -5.081 0.567 7.152 522 2HD2 LEU 65 2HD2 LEU 65 -5.232 2.283 6.778 523 3HD2 LEU 65 3HD2 LEU 65 -4.585 1.172 5.570 524 H PHE 66 H PHE 66 -9.185 4.040 3.939 525 HA PHE 66 HA PHE 66 -8.157 5.279 1.601 526 1HB PHE 66 2HB PHE 66 -10.902 5.700 2.814 527 2HB PHE 66 1HB PHE 66 -10.437 5.954 1.138 528 HD1 PHE 66 1HD PHE 66 -9.396 3.762 -0.004 529 HD2 PHE 66 2HD PHE 66 -12.065 3.801 3.306 530 HE1 PHE 66 1HE PHE 66 -10.086 1.464 -0.537 531 HE2 PHE 66 2HE PHE 66 -12.760 1.500 2.777 532 HZ PHE 66 HZ PHE 66 -11.770 0.332 0.855 533 H LYS 67 H LYS 67 -9.396 6.460 4.646 534 HA LYS 67 HA LYS 67 -9.517 9.204 4.131 535 1HB LYS 67 2HB LYS 67 -10.253 7.642 6.155 536 2HB LYS 67 1HB LYS 67 -8.735 8.197 6.828 537 1HG LYS 67 2HG LYS 67 -9.454 10.485 6.731 538 2HG LYS 67 1HG LYS 67 -10.943 10.021 5.900 539 1HD LYS 67 2HD LYS 67 -10.136 9.162 8.681 540 2HD LYS 67 1HD LYS 67 -11.318 10.415 8.299 541 1HE LYS 67 2HE LYS 67 -12.766 8.795 7.249 542 2HE LYS 67 1HE LYS 67 -11.553 7.530 7.441 543 1HZ LYS 67 1HZ LYS 67 -13.360 7.454 9.121 544 2HZ LYS 67 2HZ LYS 67 -12.835 8.961 9.711 545 3HZ LYS 67 3HZ LYS 67 -11.812 7.612 9.799 546 H ALA 68 H ALA 68 -6.940 7.290 5.644 547 HA ALA 68 HA ALA 68 -5.139 9.403 6.076 548 1HB ALA 68 1HB ALA 68 -3.435 7.656 6.314 549 2HB ALA 68 2HB ALA 68 -4.553 6.480 5.618 550 3HB ALA 68 3HB ALA 68 -4.923 7.241 7.165 551 H SER 69 H SER 69 -5.606 7.259 3.311 552 HA SER 69 HA SER 69 -3.341 8.174 1.851 553 1HB SER 69 2HB SER 69 -5.833 6.806 0.829 554 2HB SER 69 1HB SER 69 -4.277 6.906 0.003 555 HG SER 69 HG SER 69 -5.031 5.370 2.226 556 H LYS 70 H LYS 70 -6.644 9.233 2.146 557 HA LYS 70 HA LYS 70 -6.755 10.978 -0.045 558 1HB LYS 70 2HB LYS 70 -8.157 10.854 2.607 559 2HB LYS 70 1HB LYS 70 -8.438 12.194 1.517 560 1HG LYS 70 2HG LYS 70 -8.909 9.284 0.913 561 2HG LYS 70 1HG LYS 70 -10.145 10.502 1.240 562 1HD LYS 70 2HD LYS 70 -8.199 10.611 -1.066 563 2HD LYS 70 1HD LYS 70 -9.854 10.008 -1.178 564 1HE LYS 70 2HE LYS 70 -10.749 12.145 -0.632 565 2HE LYS 70 1HE LYS 70 -9.156 12.775 -0.217 566 1HZ LYS 70 1HZ LYS 70 -8.513 12.790 -2.456 567 2HZ LYS 70 2HZ LYS 70 -10.090 13.414 -2.462 568 3HZ LYS 70 3HZ LYS 70 -9.809 11.812 -2.940 569 H LEU 71 H LEU 71 -5.665 11.412 3.272 570 HA LEU 71 HA LEU 71 -4.640 14.061 2.719 571 1HB LEU 71 2HB LEU 71 -4.372 12.307 5.165 572 2HB LEU 71 1HB LEU 71 -3.824 13.969 5.054 573 HG LEU 71 HG LEU 71 -6.674 12.988 4.988 574 1HD1 LEU 71 1HD1 LEU 71 -5.193 14.799 6.887 575 2HD1 LEU 71 2HD1 LEU 71 -5.664 13.129 7.202 576 3HD1 LEU 71 3HD1 LEU 71 -6.901 14.368 6.986 577 1HD2 LEU 71 1HD2 LEU 71 -6.368 14.796 3.356 578 2HD2 LEU 71 2HD2 LEU 71 -5.655 15.802 4.616 579 3HD2 LEU 71 3HD2 LEU 71 -7.342 15.309 4.733 580 H LEU 72 H LEU 72 -2.226 13.526 4.456 581 HA LEU 72 HA LEU 72 -0.009 13.155 4.185 582 1HB LEU 72 2HB LEU 72 -0.918 11.053 2.216 583 2HB LEU 72 1HB LEU 72 0.743 11.276 2.730 584 HG LEU 72 HG LEU 72 -1.546 10.519 4.554 585 1HD1 LEU 72 1HD1 LEU 72 -0.488 8.317 4.621 586 2HD1 LEU 72 2HD1 LEU 72 0.700 8.846 3.429 587 3HD1 LEU 72 3HD1 LEU 72 -1.004 8.730 2.986 588 1HD2 LEU 72 1HD2 LEU 72 0.230 10.073 6.181 589 2HD2 LEU 72 2HD2 LEU 72 0.199 11.769 5.700 590 3HD2 LEU 72 3HD2 LEU 72 1.427 10.689 5.041 591 H ARG 73 H ARG 73 -1.923 14.539 2.027 592 HA ARG 73 HA ARG 73 -0.338 14.939 -0.264 593 1HB ARG 73 2HB ARG 73 -2.742 15.486 -0.134 594 2HB ARG 73 1HB ARG 73 -2.390 16.773 1.009 595 1HG ARG 73 2HG ARG 73 -0.917 17.756 -0.841 596 2HG ARG 73 1HG ARG 73 -1.758 16.636 -1.915 597 1HD ARG 73 2HD ARG 73 -3.892 17.608 -1.317 598 2HD ARG 73 1HD ARG 73 -3.113 18.660 -0.137 599 HE ARG 73 HE ARG 73 -3.350 19.103 -2.945 600 1HH1 ARG 73 1HH1 ARG 73 -1.246 19.656 -0.200 601 2HH1 ARG 73 2HH1 ARG 73 -0.501 21.069 -0.875 602 1HH2 ARG 73 1HH2 ARG 73 -2.404 20.991 -3.828 603 2HH2 ARG 73 2HH2 ARG 73 -1.171 21.840 -2.943 604 H SER 74 H SER 74 -0.029 16.032 2.935 605 HA SER 74 HA SER 74 1.250 18.508 2.603 606 1HB SER 74 2HB SER 74 1.742 16.527 4.836 607 2HB SER 74 1HB SER 74 1.890 18.284 4.903 608 HG SER 74 HG SER 74 -0.510 18.068 4.187 609 H ASN 75 H ASN 75 2.415 15.211 2.431 610 HA ASN 75 HA ASN 75 5.186 16.127 2.215 611 1HB ASN 75 2HB ASN 75 4.527 14.088 3.596 612 2HB ASN 75 1HB ASN 75 4.186 13.283 2.071 613 1HD2 ASN 75 1HD2 ASN 75 5.922 12.903 0.618 614 2HD2 ASN 75 2HD2 ASN 75 7.547 12.808 1.196 615 H ASN 76 H ASN 76 2.746 14.297 0.407 616 HA ASN 76 HA ASN 76 3.799 15.242 -2.105 617 1HB ASN 76 2HB ASN 76 5.264 13.290 -1.608 618 2HB ASN 76 1HB ASN 76 3.836 12.267 -1.511 619 1HD2 ASN 76 1HD2 ASN 76 4.703 10.980 -3.165 620 2HD2 ASN 76 2HD2 ASN 76 4.657 11.481 -4.826 621 H THR 77 H THR 77 2.296 14.989 -3.802 622 HA THR 77 HA THR 77 -0.404 14.745 -2.743 623 HB THR 77 HB THR 77 0.168 16.759 -3.995 624 HG1 THR 77 1HG THR 77 -1.747 15.010 -5.163 625 1HG2 THR 77 1HG2 THR 77 0.583 16.675 -6.410 626 2HG2 THR 77 2HG2 THR 77 0.584 14.912 -6.347 627 3HG2 THR 77 3HG2 THR 77 1.840 15.826 -5.509 628 H GLU 78 H GLU 78 1.687 12.646 -4.155 629 HA GLU 78 HA GLU 78 -0.016 11.477 -6.133 630 1HB GLU 78 2HB GLU 78 2.568 10.560 -4.898 631 2HB GLU 78 1HB GLU 78 1.751 9.730 -6.208 632 1HG GLU 78 2HG GLU 78 1.992 11.698 -7.619 633 2HG GLU 78 1HG GLU 78 2.803 12.541 -6.300 634 H ILE 79 H ILE 79 0.383 11.045 -2.736 635 HA ILE 79 HA ILE 79 0.079 8.324 -2.411 636 HB ILE 79 HB ILE 79 -0.760 10.585 -0.612 637 1HG1 ILE 79 2HG1 ILE 79 1.084 9.584 0.804 638 2HG1 ILE 79 1HG1 ILE 79 1.458 8.529 -0.552 639 1HG2 ILE 79 1HG2 ILE 79 -0.975 7.637 -0.024 640 2HG2 ILE 79 2HG2 ILE 79 -2.305 8.790 -0.133 641 3HG2 ILE 79 3HG2 ILE 79 -1.124 8.925 1.171 642 1HD1 ILE 79 1HD1 ILE 79 1.975 10.485 -1.919 643 2HD1 ILE 79 2HD1 ILE 79 2.962 10.427 -0.458 644 3HD1 ILE 79 3HD1 ILE 79 1.593 11.535 -0.556 645 HA PRO 80 HA PRO 80 -4.811 8.891 -2.140 646 1HB PRO 80 2HB PRO 80 -5.645 10.859 -3.925 647 2HB PRO 80 1HB PRO 80 -5.618 11.007 -2.167 648 1HG PRO 80 2HG PRO 80 -3.637 11.964 -4.182 649 2HG PRO 80 1HG PRO 80 -4.193 12.744 -2.689 650 1HD PRO 80 2HD PRO 80 -1.810 11.537 -2.811 651 2HD PRO 80 1HD PRO 80 -2.815 11.429 -1.347 652 H ILE 81 H ILE 81 -2.984 9.654 -5.072 653 HA ILE 81 HA ILE 81 -4.762 8.188 -6.796 654 HB ILE 81 HB ILE 81 -1.955 9.191 -7.318 655 1HG1 ILE 81 2HG1 ILE 81 -4.634 10.389 -8.064 656 2HG1 ILE 81 1HG1 ILE 81 -3.570 10.992 -6.801 657 1HG2 ILE 81 1HG2 ILE 81 -4.065 8.237 -9.256 658 2HG2 ILE 81 2HG2 ILE 81 -2.593 7.369 -8.818 659 3HG2 ILE 81 3HG2 ILE 81 -2.488 8.901 -9.683 660 1HD1 ILE 81 1HD1 ILE 81 -1.855 11.450 -8.500 661 2HD1 ILE 81 2HD1 ILE 81 -3.352 12.341 -8.776 662 3HD1 ILE 81 3HD1 ILE 81 -2.981 10.917 -9.747 663 H LEU 82 H LEU 82 -1.578 7.667 -5.353 664 HA LEU 82 HA LEU 82 -0.941 5.198 -6.470 665 1HB LEU 82 2HB LEU 82 -0.313 6.241 -3.704 666 2HB LEU 82 1HB LEU 82 0.491 4.888 -4.476 667 HG LEU 82 HG LEU 82 0.544 7.721 -5.518 668 1HD1 LEU 82 1HD1 LEU 82 2.624 6.190 -3.961 669 2HD1 LEU 82 2HD1 LEU 82 1.696 7.573 -3.381 670 3HD1 LEU 82 3HD1 LEU 82 2.850 7.776 -4.700 671 1HD2 LEU 82 1HD2 LEU 82 0.841 5.988 -7.231 672 2HD2 LEU 82 2HD2 LEU 82 2.160 5.295 -6.288 673 3HD2 LEU 82 3HD2 LEU 82 2.318 6.915 -6.966 674 H TRP 83 H TRP 83 -2.715 5.941 -3.495 675 HA TRP 83 HA TRP 83 -3.212 3.278 -2.707 676 1HB TRP 83 2HB TRP 83 -3.464 5.145 -1.164 677 2HB TRP 83 1HB TRP 83 -4.780 5.800 -2.132 678 HD1 TRP 83 HD TRP 83 -7.124 5.166 -1.315 679 HE1 TRP 83 1HE TRP 83 -8.116 3.324 0.180 680 HE3 TRP 83 3HE TRP 83 -2.894 2.426 -0.479 681 HZ2 TRP 83 2HZ TRP 83 -7.225 1.011 1.534 682 HZ3 TRP 83 3HZ TRP 83 -3.049 0.423 0.905 683 HH2 TRP 83 HH TRP 83 -5.169 -0.277 1.901 684 H LYS 84 H LYS 84 -4.994 5.504 -4.800 685 HA LYS 84 HA LYS 84 -7.374 4.063 -5.054 686 1HB LYS 84 2HB LYS 84 -6.883 6.413 -5.892 687 2HB LYS 84 1HB LYS 84 -6.069 5.674 -7.259 688 1HG LYS 84 2HG LYS 84 -8.945 5.101 -6.604 689 2HG LYS 84 1HG LYS 84 -8.452 6.457 -7.614 690 1HD LYS 84 2HD LYS 84 -7.406 4.937 -9.190 691 2HD LYS 84 1HD LYS 84 -7.788 3.564 -8.154 692 1HE LYS 84 2HE LYS 84 -10.209 4.144 -8.429 693 2HE LYS 84 1HE LYS 84 -9.723 5.339 -9.631 694 1HZ LYS 84 1HZ LYS 84 -10.404 3.200 -10.603 695 2HZ LYS 84 2HZ LYS 84 -9.121 2.434 -9.801 696 3HZ LYS 84 3HZ LYS 84 -8.801 3.601 -10.987 697 H SER 85 H SER 85 -4.338 3.826 -6.845 698 HA SER 85 HA SER 85 -5.140 1.934 -8.736 699 1HB SER 85 2HB SER 85 -2.396 2.267 -7.497 700 2HB SER 85 1HB SER 85 -2.759 1.501 -9.043 701 HG SER 85 HG SER 85 -2.077 3.867 -8.937 702 H ALA 86 H ALA 86 -3.685 1.468 -5.514 703 HA ALA 86 HA ALA 86 -3.704 -1.370 -5.607 704 1HB ALA 86 1HB ALA 86 -3.712 0.436 -3.190 705 2HB ALA 86 2HB ALA 86 -2.277 -0.098 -4.067 706 3HB ALA 86 3HB ALA 86 -3.279 -1.274 -3.217 707 H TRP 87 H TRP 87 -5.946 1.031 -4.353 708 HA TRP 87 HA TRP 87 -7.868 -0.584 -3.186 709 1HB TRP 87 2HB TRP 87 -8.208 1.670 -2.838 710 2HB TRP 87 1HB TRP 87 -7.837 2.093 -4.497 711 HD1 TRP 87 HD TRP 87 -9.810 2.861 -5.840 712 HE1 TRP 87 1HE TRP 87 -12.375 2.637 -5.717 713 HE3 TRP 87 3HE TRP 87 -10.121 -0.307 -1.848 714 HZ2 TRP 87 2HZ TRP 87 -14.274 1.278 -4.115 715 HZ3 TRP 87 3HZ TRP 87 -12.345 -1.022 -1.079 716 HH2 TRP 87 HH TRP 87 -14.378 -0.245 -2.188 717 H THR 88 H THR 88 -7.519 0.366 -6.575 718 HA THR 88 HA THR 88 -9.868 -0.807 -7.552 719 HB THR 88 HB THR 88 -7.271 -0.489 -9.073 720 HG1 THR 88 1HG THR 88 -7.870 1.492 -8.081 721 1HG2 THR 88 1HG2 THR 88 -8.746 -0.208 -11.013 722 2HG2 THR 88 2HG2 THR 88 -10.151 -0.484 -9.984 723 3HG2 THR 88 3HG2 THR 88 -8.985 -1.781 -10.252 724 H LEU 89 H LEU 89 -6.707 -2.156 -6.860 725 HA LEU 89 HA LEU 89 -6.976 -4.586 -8.279 726 1HB LEU 89 2HB LEU 89 -5.351 -3.988 -5.808 727 2HB LEU 89 1HB LEU 89 -5.158 -5.399 -6.827 728 HG LEU 89 HG LEU 89 -4.599 -2.538 -7.604 729 1HD1 LEU 89 1HD1 LEU 89 -2.284 -3.329 -7.748 730 2HD1 LEU 89 2HD1 LEU 89 -2.795 -4.910 -7.151 731 3HD1 LEU 89 3HD1 LEU 89 -2.938 -3.487 -6.117 732 1HD2 LEU 89 1HD2 LEU 89 -5.491 -3.780 -9.503 733 2HD2 LEU 89 2HD2 LEU 89 -4.328 -5.076 -9.217 734 3HD2 LEU 89 3HD2 LEU 89 -3.764 -3.479 -9.711 735 H HIS 90 H HIS 90 -7.618 -3.733 -4.882 736 HA HIS 90 HA HIS 90 -8.288 -6.405 -4.144 737 1HB HIS 90 2HB HIS 90 -7.479 -4.591 -2.584 738 2HB HIS 90 1HB HIS 90 -9.094 -3.896 -2.677 739 HD1 HIS 90 1HD HIS 90 -10.781 -4.784 -1.051 740 HD2 HIS 90 2HD HIS 90 -7.488 -7.292 -1.465 741 HE1 HIS 90 1HE HIS 90 -11.085 -6.591 0.669 742 HE2 HIS 90 2HE HIS 90 -9.202 -8.216 0.243 743 H VAL 91 H VAL 91 -10.069 -3.739 -5.462 744 HA VAL 91 HA VAL 91 -12.674 -4.796 -4.940 745 HB VAL 91 HB VAL 91 -11.782 -2.864 -7.093 746 1HG1 VAL 91 1HG1 VAL 91 -13.910 -3.925 -7.642 747 2HG1 VAL 91 2HG1 VAL 91 -14.140 -2.227 -7.228 748 3HG1 VAL 91 3HG1 VAL 91 -14.546 -3.483 -6.058 749 1HG2 VAL 91 1HG2 VAL 91 -11.333 -2.017 -4.871 750 2HG2 VAL 91 2HG2 VAL 91 -12.988 -2.373 -4.381 751 3HG2 VAL 91 3HG2 VAL 91 -12.678 -1.143 -5.605 752 H GLU 92 H GLU 92 -10.240 -5.212 -7.402 753 HA GLU 92 HA GLU 92 -10.042 -6.543 -9.233 754 1HB GLU 92 2HB GLU 92 -12.255 -8.104 -7.876 755 2HB GLU 92 1HB GLU 92 -11.293 -8.689 -9.226 756 1HG GLU 92 2HG GLU 92 -9.310 -8.704 -7.888 757 2HG GLU 92 1HG GLU 92 -10.143 -7.897 -6.560 758 H GLY 93 H GLY 93 -11.866 -4.266 -9.194 759 1HA GLY 93 2HA GLY 93 -13.959 -5.138 -11.072 760 2HA GLY 93 1HA GLY 93 -14.039 -3.692 -10.078 761 H PHE 94 H PHE 94 -12.146 -5.159 -12.690 762 HA PHE 94 HA PHE 94 -11.607 -2.482 -13.758 763 1HB PHE 94 2HB PHE 94 -9.738 -4.145 -13.588 764 2HB PHE 94 1HB PHE 94 -10.597 -5.166 -14.736 765 HD1 PHE 94 1HD PHE 94 -9.230 -1.724 -14.382 766 HD2 PHE 94 2HD PHE 94 -10.149 -4.958 -16.989 767 HE1 PHE 94 1HE PHE 94 -8.133 -0.537 -16.232 768 HE2 PHE 94 2HE PHE 94 -9.055 -3.771 -18.850 769 HZ PHE 94 HZ PHE 94 -8.044 -1.559 -18.468 770 H HIS 95 H HIS 95 -12.756 -5.636 -14.822 771 HA HIS 95 HA HIS 95 -15.065 -4.460 -16.092 772 1HB HIS 95 2HB HIS 95 -13.402 -4.404 -17.930 773 2HB HIS 95 1HB HIS 95 -13.116 -6.128 -17.715 774 HD1 HIS 95 1HD HIS 95 -14.447 -7.605 -19.203 775 HD2 HIS 95 2HD HIS 95 -16.246 -3.887 -18.678 776 HE1 HIS 95 1HE HIS 95 -16.470 -7.611 -20.694 777 HE2 HIS 95 2HE HIS 95 -17.647 -5.435 -20.210 778 H GLU 96 H GLU 96 -13.069 -7.310 -15.611 779 HA GLU 96 HA GLU 96 -15.351 -8.620 -14.329 780 1HB GLU 96 2HB GLU 96 -14.974 -9.500 -16.692 781 2HB GLU 96 1HB GLU 96 -13.409 -10.076 -16.142 782 1HG GLU 96 2HG GLU 96 -14.340 -11.703 -14.788 783 2HG GLU 96 1HG GLU 96 -15.905 -10.895 -14.719 784 H LEU 97 H LEU 97 -14.194 -10.750 -13.198 785 HA LEU 97 HA LEU 97 -12.361 -9.560 -11.343 786 1HB LEU 97 2HB LEU 97 -13.402 -12.386 -11.574 787 2HB LEU 97 1HB LEU 97 -12.375 -11.824 -10.272 788 HG LEU 97 HG LEU 97 -14.562 -11.839 -9.403 789 1HD1 LEU 97 1HD1 LEU 97 -15.060 -9.489 -8.948 790 2HD1 LEU 97 2HD1 LEU 97 -13.947 -9.013 -10.231 791 3HD1 LEU 97 3HD1 LEU 97 -13.339 -9.846 -8.800 792 1HD2 LEU 97 1HD2 LEU 97 -15.839 -12.056 -11.431 793 2HD2 LEU 97 2HD2 LEU 97 -15.447 -10.400 -11.897 794 3HD2 LEU 97 3HD2 LEU 97 -16.465 -10.702 -10.491 795 H SER 98 H SER 98 -10.851 -9.146 -13.254 796 HA SER 98 HA SER 98 -8.677 -11.008 -13.164 797 1HB SER 98 2HB SER 98 -10.074 -10.564 -15.821 798 2HB SER 98 1HB SER 98 -8.567 -11.443 -15.583 799 HG SER 98 HG SER 98 -10.373 -12.495 -13.947 800 H LEU 99 H LEU 99 -7.571 -9.166 -12.392 801 HA LEU 99 HA LEU 99 -7.290 -6.778 -13.878 802 1HB LEU 99 2HB LEU 99 -5.502 -8.093 -11.832 803 2HB LEU 99 1HB LEU 99 -5.179 -6.515 -12.516 804 HG LEU 99 HG LEU 99 -6.151 -6.219 -10.363 805 1HD1 LEU 99 1HD1 LEU 99 -6.846 -4.631 -12.064 806 2HD1 LEU 99 2HD1 LEU 99 -8.127 -4.893 -10.879 807 3HD1 LEU 99 3HD1 LEU 99 -8.225 -5.655 -12.468 808 1HD2 LEU 99 1HD2 LEU 99 -8.310 -7.075 -9.706 809 2HD2 LEU 99 2HD2 LEU 99 -7.236 -8.404 -10.145 810 3HD2 LEU 99 3HD2 LEU 99 -8.492 -7.877 -11.266 811 H ASN 100 H ASN 100 -6.110 -6.358 -15.649 812 HA ASN 100 HA ASN 100 -4.805 -8.559 -16.969 813 1HB ASN 100 2HB ASN 100 -5.147 -5.680 -17.835 814 2HB ASN 100 1HB ASN 100 -4.525 -6.980 -18.848 815 1HD2 ASN 100 1HD2 ASN 100 -5.935 -8.651 -19.483 816 2HD2 ASN 100 2HD2 ASN 100 -7.655 -8.422 -19.484 817 H GLU 101 H GLU 101 -2.674 -8.328 -17.992 818 HA GLU 101 HA GLU 101 -0.660 -7.922 -16.113 819 1HB GLU 101 2HB GLU 101 -0.403 -9.314 -18.125 820 2HB GLU 101 1HB GLU 101 -0.414 -7.870 -19.126 821 1HG GLU 101 2HG GLU 101 1.627 -7.098 -17.952 822 2HG GLU 101 1HG GLU 101 1.659 -8.630 -17.080 823 H LYS 102 H LYS 102 -1.733 -5.812 -18.737 824 HA LYS 102 HA LYS 102 0.130 -3.784 -18.539 825 1HB LYS 102 2HB LYS 102 -1.801 -4.193 -20.199 826 2HB LYS 102 1HB LYS 102 -2.786 -3.286 -19.069 827 1HG LYS 102 2HG LYS 102 -0.243 -2.117 -20.100 828 2HG LYS 102 1HG LYS 102 -1.698 -2.105 -21.090 829 1HD LYS 102 2HD LYS 102 -2.889 -0.969 -19.216 830 2HD LYS 102 1HD LYS 102 -1.353 -0.875 -18.356 831 1HE LYS 102 2HE LYS 102 -1.802 1.222 -19.479 832 2HE LYS 102 1HE LYS 102 -0.411 0.430 -20.219 833 1HZ LYS 102 1HZ LYS 102 -1.922 1.345 -21.878 834 2HZ LYS 102 2HZ LYS 102 -3.188 0.389 -21.287 835 3HZ LYS 102 3HZ LYS 102 -1.839 -0.341 -22.006 836 H GLU 103 H GLU 103 -2.814 -4.292 -16.674 837 HA GLU 103 HA GLU 103 -2.698 -1.800 -15.295 838 1HB GLU 103 2HB GLU 103 -4.749 -3.265 -15.649 839 2HB GLU 103 1HB GLU 103 -4.121 -4.294 -14.370 840 1HG GLU 103 2HG GLU 103 -5.800 -2.765 -13.523 841 2HG GLU 103 1HG GLU 103 -4.226 -2.435 -12.802 842 H VAL 104 H VAL 104 -1.809 -5.135 -14.448 843 HA VAL 104 HA VAL 104 -0.873 -4.599 -11.842 844 HB VAL 104 HB VAL 104 0.130 -6.754 -13.712 845 1HG1 VAL 104 1HG1 VAL 104 0.609 -7.992 -11.645 846 2HG1 VAL 104 2HG1 VAL 104 0.093 -6.595 -10.699 847 3HG1 VAL 104 3HG1 VAL 104 1.517 -6.481 -11.734 848 1HG2 VAL 104 1HG2 VAL 104 -2.212 -6.818 -11.814 849 2HG2 VAL 104 2HG2 VAL 104 -1.587 -8.190 -12.730 850 3HG2 VAL 104 3HG2 VAL 104 -2.300 -6.818 -13.577 851 H LYS 105 H LYS 105 0.644 -4.432 -14.989 852 HA LYS 105 HA LYS 105 3.320 -4.113 -14.260 853 1HB LYS 105 2HB LYS 105 2.454 -4.520 -16.550 854 2HB LYS 105 1HB LYS 105 1.848 -2.873 -16.593 855 1HG LYS 105 2HG LYS 105 4.085 -2.001 -16.497 856 2HG LYS 105 1HG LYS 105 4.744 -3.631 -16.305 857 1HD LYS 105 2HD LYS 105 3.827 -4.247 -18.492 858 2HD LYS 105 1HD LYS 105 3.196 -2.611 -18.684 859 1HE LYS 105 2HE LYS 105 5.441 -1.710 -18.669 860 2HE LYS 105 1HE LYS 105 6.111 -3.313 -18.360 861 1HZ LYS 105 1HZ LYS 105 4.567 -2.560 -20.784 862 2HZ LYS 105 2HZ LYS 105 5.311 -4.055 -20.490 863 3HZ LYS 105 3HZ LYS 105 6.257 -2.663 -20.708 864 H LYS 106 H LYS 106 0.733 -1.729 -14.624 865 HA LYS 106 HA LYS 106 2.289 0.552 -13.967 866 1HB LYS 106 2HB LYS 106 0.123 0.754 -15.077 867 2HB LYS 106 1HB LYS 106 -0.681 0.012 -13.701 868 1HG LYS 106 2HG LYS 106 0.355 2.020 -12.388 869 2HG LYS 106 1HG LYS 106 0.446 2.757 -13.989 870 1HD LYS 106 2HD LYS 106 -2.039 1.660 -12.672 871 2HD LYS 106 1HD LYS 106 -1.636 3.365 -12.880 872 1HE LYS 106 2HE LYS 106 -1.912 3.264 -15.200 873 2HE LYS 106 1HE LYS 106 -1.831 1.501 -15.221 874 1HZ LYS 106 1HZ LYS 106 -4.031 3.086 -14.007 875 2HZ LYS 106 2HZ LYS 106 -3.955 1.394 -14.125 876 3HZ LYS 106 3HZ LYS 106 -4.091 2.340 -15.529 877 H LEU 107 H LEU 107 0.097 -1.499 -12.076 878 HA LEU 107 HA LEU 107 0.355 -0.213 -9.629 879 1HB LEU 107 2HB LEU 107 -0.497 -2.882 -10.528 880 2HB LEU 107 1HB LEU 107 0.015 -2.782 -8.853 881 HG LEU 107 HG LEU 107 -2.391 -2.485 -9.037 882 1HD1 LEU 107 1HD1 LEU 107 -1.195 -1.343 -7.260 883 2HD1 LEU 107 2HD1 LEU 107 -2.575 -0.386 -7.804 884 3HD1 LEU 107 3HD1 LEU 107 -0.942 0.052 -8.307 885 1HD2 LEU 107 1HD2 LEU 107 -1.742 -0.074 -10.733 886 2HD2 LEU 107 2HD2 LEU 107 -3.343 -0.532 -10.150 887 3HD2 LEU 107 3HD2 LEU 107 -2.495 -1.566 -11.299 888 H LYS 108 H LYS 108 2.446 -2.569 -11.141 889 HA LYS 108 HA LYS 108 4.043 -3.280 -8.995 890 1HB LYS 108 2HB LYS 108 4.322 -4.455 -11.025 891 2HB LYS 108 1HB LYS 108 4.612 -2.977 -11.931 892 1HG LYS 108 2HG LYS 108 6.779 -2.730 -11.017 893 2HG LYS 108 1HG LYS 108 6.481 -3.985 -9.811 894 1HD LYS 108 2HD LYS 108 6.463 -4.491 -12.779 895 2HD LYS 108 1HD LYS 108 7.895 -4.688 -11.764 896 1HE LYS 108 2HE LYS 108 5.273 -6.153 -11.494 897 2HE LYS 108 1HE LYS 108 6.805 -6.827 -12.050 898 1HZ LYS 108 1HZ LYS 108 6.473 -7.414 -9.763 899 2HZ LYS 108 2HZ LYS 108 6.197 -5.808 -9.333 900 3HZ LYS 108 3HZ LYS 108 7.736 -6.288 -9.840 901 H GLU 109 H GLU 109 4.367 -0.438 -11.135 902 HA GLU 109 HA GLU 109 6.712 0.430 -9.716 903 1HB GLU 109 2HB GLU 109 6.656 2.402 -11.138 904 2HB GLU 109 1HB GLU 109 6.446 0.949 -12.100 905 1HG GLU 109 2HG GLU 109 4.064 1.364 -12.253 906 2HG GLU 109 1HG GLU 109 4.233 2.788 -11.229 907 H ASP 110 H ASP 110 3.286 1.245 -9.747 908 HA ASP 110 HA ASP 110 3.396 3.502 -8.086 909 1HB ASP 110 2HB ASP 110 1.234 1.538 -8.765 910 2HB ASP 110 1HB ASP 110 0.963 2.740 -7.506 911 H VAL 111 H VAL 111 2.731 0.090 -7.212 912 HA VAL 111 HA VAL 111 2.511 0.649 -4.432 913 HB VAL 111 HB VAL 111 3.114 -1.982 -5.807 914 1HG1 VAL 111 1HG1 VAL 111 2.359 -3.035 -3.731 915 2HG1 VAL 111 2HG1 VAL 111 2.197 -1.447 -2.982 916 3HG1 VAL 111 3HG1 VAL 111 3.788 -2.037 -3.462 917 1HG2 VAL 111 1HG2 VAL 111 0.985 -1.025 -6.492 918 2HG2 VAL 111 2HG2 VAL 111 0.520 -0.815 -4.803 919 3HG2 VAL 111 3HG2 VAL 111 0.729 -2.436 -5.466 920 H ARG 112 H ARG 112 5.209 -0.132 -6.525 921 HA ARG 112 HA ARG 112 7.078 -0.749 -4.495 922 1HB ARG 112 2HB ARG 112 7.346 -1.175 -6.979 923 2HB ARG 112 1HB ARG 112 7.723 0.533 -7.150 924 1HG ARG 112 2HG ARG 112 9.680 0.308 -5.793 925 2HG ARG 112 1HG ARG 112 9.257 -1.357 -5.381 926 1HD ARG 112 2HD ARG 112 9.399 -1.887 -7.830 927 2HD ARG 112 1HD ARG 112 10.064 -0.271 -8.072 928 HE ARG 112 HE ARG 112 11.917 -0.958 -6.586 929 1HH1 ARG 112 1HH1 ARG 112 9.959 -3.433 -8.094 930 2HH1 ARG 112 2HH1 ARG 112 11.214 -4.628 -8.066 931 1HH2 ARG 112 1HH2 ARG 112 13.573 -2.515 -6.544 932 2HH2 ARG 112 2HH2 ARG 112 13.285 -4.097 -7.196 933 H LYS 113 H LYS 113 6.064 2.268 -6.000 934 HA LYS 113 HA LYS 113 7.898 3.997 -4.767 935 1HB LYS 113 2HB LYS 113 5.061 4.429 -5.720 936 2HB LYS 113 1HB LYS 113 6.097 5.726 -5.155 937 1HG LYS 113 2HG LYS 113 7.569 5.495 -6.965 938 2HG LYS 113 1HG LYS 113 6.925 3.911 -7.389 939 1HD LYS 113 2HD LYS 113 6.162 5.572 -8.978 940 2HD LYS 113 1HD LYS 113 4.801 4.965 -8.036 941 1HE LYS 113 2HE LYS 113 4.812 6.952 -6.667 942 2HE LYS 113 1HE LYS 113 6.269 7.537 -7.471 943 1HZ LYS 113 1HZ LYS 113 5.029 7.675 -9.540 944 2HZ LYS 113 2HZ LYS 113 4.295 8.624 -8.341 945 3HZ LYS 113 3HZ LYS 113 3.624 7.122 -8.769 946 H LEU 114 H LEU 114 4.873 2.588 -3.650 947 HA LEU 114 HA LEU 114 4.674 4.076 -1.253 948 1HB LEU 114 2HB LEU 114 3.466 1.598 -2.358 949 2HB LEU 114 1HB LEU 114 3.374 1.836 -0.636 950 HG LEU 114 HG LEU 114 2.292 4.077 -1.110 951 1HD1 LEU 114 1HD1 LEU 114 1.296 4.367 -3.311 952 2HD1 LEU 114 2HD1 LEU 114 2.081 2.891 -3.871 953 3HD1 LEU 114 3HD1 LEU 114 3.055 4.291 -3.420 954 1HD2 LEU 114 1HD2 LEU 114 0.862 1.607 -2.086 955 2HD2 LEU 114 2HD2 LEU 114 0.107 3.095 -1.518 956 3HD2 LEU 114 3HD2 LEU 114 1.032 2.094 -0.399 957 H VAL 115 H VAL 115 6.074 0.937 -2.087 958 HA VAL 115 HA VAL 115 6.757 0.171 0.522 959 HB VAL 115 HB VAL 115 8.056 -0.637 -2.084 960 1HG1 VAL 115 1HG1 VAL 115 9.518 -1.090 -0.172 961 2HG1 VAL 115 2HG1 VAL 115 8.903 -2.583 -0.883 962 3HG1 VAL 115 3HG1 VAL 115 8.210 -1.971 0.617 963 1HG2 VAL 115 1HG2 VAL 115 5.682 -1.165 -2.011 964 2HG2 VAL 115 2HG2 VAL 115 5.892 -1.968 -0.456 965 3HG2 VAL 115 3HG2 VAL 115 6.647 -2.637 -1.902 966 H ILE 116 H ILE 116 8.673 1.829 -1.971 967 HA ILE 116 HA ILE 116 11.071 2.009 -0.532 968 HB ILE 116 HB ILE 116 9.979 4.028 -2.505 969 1HG1 ILE 116 2HG1 ILE 116 10.034 1.836 -3.528 970 2HG1 ILE 116 1HG1 ILE 116 11.367 2.795 -4.164 971 1HG2 ILE 116 1HG2 ILE 116 11.824 4.942 -1.234 972 2HG2 ILE 116 2HG2 ILE 116 12.345 4.605 -2.886 973 3HG2 ILE 116 3HG2 ILE 116 12.803 3.514 -1.576 974 1HD1 ILE 116 1HD1 ILE 116 12.053 0.518 -3.724 975 2HD1 ILE 116 2HD1 ILE 116 11.569 0.679 -2.035 976 3HD1 ILE 116 3HD1 ILE 116 12.905 1.642 -2.668 977 H PHE 117 H PHE 117 8.131 3.883 -0.386 978 HA PHE 117 HA PHE 117 9.323 6.003 1.165 979 1HB PHE 117 2HB PHE 117 7.035 5.777 -0.390 980 2HB PHE 117 1HB PHE 117 6.413 5.854 1.256 981 HD1 PHE 117 2HD PHE 117 7.053 7.793 2.707 982 HD2 PHE 117 1HD PHE 117 7.870 7.683 -1.465 983 HE1 PHE 117 2HE PHE 117 7.373 10.229 2.710 984 HE2 PHE 117 1HE PHE 117 8.195 10.122 -1.468 985 HZ PHE 117 HZ PHE 117 7.945 11.396 0.622 986 H ALA 118 H ALA 118 7.397 3.133 1.733 987 HA ALA 118 HA ALA 118 6.822 3.605 4.458 988 1HB ALA 118 1HB ALA 118 5.591 1.976 3.142 989 2HB ALA 118 2HB ALA 118 6.324 1.200 4.545 990 3HB ALA 118 3HB ALA 118 7.049 1.002 2.951 991 H VAL 119 H VAL 119 9.428 1.838 2.829 992 HA VAL 119 HA VAL 119 10.776 1.068 5.211 993 HB VAL 119 HB VAL 119 11.915 1.385 2.418 994 1HG1 VAL 119 1HG1 VAL 119 12.925 -0.219 4.762 995 2HG1 VAL 119 2HG1 VAL 119 13.638 1.274 4.151 996 3HG1 VAL 119 3HG1 VAL 119 13.632 -0.177 3.148 997 1HG2 VAL 119 1HG2 VAL 119 10.051 -0.150 2.380 998 2HG2 VAL 119 2HG2 VAL 119 10.687 -1.012 3.780 999 3HG2 VAL 119 3HG2 VAL 119 11.555 -1.061 2.246 1000 H ASN 120 H ASN 120 10.827 3.883 3.154 1001 HA ASN 120 HA ASN 120 13.205 5.082 4.056 1002 1HB ASN 120 2HB ASN 120 11.739 5.675 2.038 1003 2HB ASN 120 1HB ASN 120 10.748 6.583 3.172 1004 1HD2 ASN 120 1HD2 ASN 120 13.822 6.370 1.586 1005 2HD2 ASN 120 2HD2 ASN 120 14.333 7.983 1.920 1006 H SER 121 H SER 121 10.098 4.761 5.497 1007 HA SER 121 HA SER 121 10.175 6.890 7.349 1008 1HB SER 121 2HB SER 121 8.119 5.630 6.872 1009 2HB SER 121 1HB SER 121 8.836 4.176 7.561 1010 HG SER 121 HG SER 121 7.399 5.822 8.849 1011 H LEU 122 H LEU 122 11.754 3.798 7.229 1012 HA LEU 122 HA LEU 122 12.539 3.943 10.039 1013 1HB LEU 122 2HB LEU 122 12.911 1.837 7.917 1014 2HB LEU 122 1HB LEU 122 13.714 1.748 9.471 1015 HG LEU 122 HG LEU 122 11.417 1.812 10.537 1016 1HD1 LEU 122 1HD1 LEU 122 9.532 1.123 9.142 1017 2HD1 LEU 122 2HD1 LEU 122 10.543 1.268 7.704 1018 3HD1 LEU 122 3HD1 LEU 122 10.156 2.700 8.659 1019 1HD2 LEU 122 1HD2 LEU 122 12.129 -0.499 8.741 1020 2HD2 LEU 122 2HD2 LEU 122 10.995 -0.566 10.089 1021 3HD2 LEU 122 3HD2 LEU 122 12.700 -0.230 10.388 1022 H GLU 123 H GLU 123 13.573 5.231 7.223 1023 HA GLU 123 HA GLU 123 16.397 5.170 8.025 1024 1HB GLU 123 2HB GLU 123 15.201 5.674 5.295 1025 2HB GLU 123 1HB GLU 123 16.905 5.850 5.681 1026 1HG GLU 123 2HG GLU 123 16.902 3.426 6.335 1027 2HG GLU 123 1HG GLU 123 15.275 3.328 5.656 1028 H HIS 124 H HIS 124 15.632 6.794 9.582 1029 HA HIS 124 HA HIS 124 14.955 9.421 8.617 1030 1HB HIS 124 2HB HIS 124 15.541 8.225 11.295 1031 2HB HIS 124 1HB HIS 124 15.582 9.973 11.109 1032 HD1 HIS 124 1HD HIS 124 13.547 10.135 12.710 1033 HD2 HIS 124 2HD HIS 124 12.798 8.098 9.168 1034 HE1 HIS 124 1HE HIS 124 11.043 10.000 12.522 1035 HE2 HIS 124 2HE HIS 124 10.607 8.887 10.303 1036 H HIS 125 H HIS 125 17.435 8.276 7.602 1037 HA HIS 125 HA HIS 125 19.638 9.440 8.995 1038 1HB HIS 125 2HB HIS 125 19.947 7.361 7.787 1039 2HB HIS 125 1HB HIS 125 19.458 8.123 6.280 1040 HD1 HIS 125 1HD HIS 125 21.330 8.752 4.830 1041 HD2 HIS 125 2HD HIS 125 22.440 8.719 8.838 1042 HE1 HIS 125 1HE HIS 125 23.791 9.274 4.856 1043 HE2 HIS 125 2HE HIS 125 24.364 9.521 7.300 1044 H HIS 126 H HIS 126 18.616 11.604 8.968 1045 HA HIS 126 HA HIS 126 19.154 13.774 8.565 1046 1HB HIS 126 2HB HIS 126 21.414 12.922 8.064 1047 2HB HIS 126 1HB HIS 126 20.954 12.688 6.386 1048 HD1 HIS 126 1HD HIS 126 21.892 15.332 8.858 1049 HD2 HIS 126 2HD HIS 126 20.925 15.007 4.823 1050 HE1 HIS 126 1HE HIS 126 22.497 17.546 7.834 1051 HE2 HIS 126 2HE HIS 126 21.791 17.370 5.419 1052 H HIS 127 H HIS 127 17.616 11.849 6.249 1053 HA HIS 127 HA HIS 127 17.524 13.600 4.058 1054 1HB HIS 127 2HB HIS 127 15.883 12.199 3.095 1055 2HB HIS 127 1HB HIS 127 16.931 11.143 4.028 1056 HD1 HIS 127 1HD HIS 127 13.451 12.061 3.529 1057 HD2 HIS 127 2HD HIS 127 15.697 10.258 6.526 1058 HE1 HIS 127 1HE HIS 127 11.788 10.910 5.020 1059 HE2 HIS 127 2HE HIS 127 13.201 9.582 6.622 1060 H HIS 128 H HIS 128 15.426 13.376 6.899 1061 HA HIS 128 HA HIS 128 13.976 14.876 7.816 1062 1HB HIS 128 2HB HIS 128 15.848 16.463 7.230 1063 2HB HIS 128 1HB HIS 128 14.988 16.836 5.744 1064 HD1 HIS 128 1HD HIS 128 12.969 18.411 5.908 1065 HD2 HIS 128 2HD HIS 128 14.706 17.514 9.579 1066 HE1 HIS 128 1HE HIS 128 11.969 20.031 7.546 1067 HE2 HIS 128 2HE HIS 128 13.186 19.602 9.717 1068 H HIS 129 H HIS 129 11.920 16.042 7.423 1069 HA HIS 129 HA HIS 129 10.807 15.589 4.730 1070 1HB HIS 129 2HB HIS 129 9.378 15.547 7.399 1071 2HB HIS 129 1HB HIS 129 8.548 15.596 5.851 1072 HD1 HIS 129 1HD HIS 129 8.295 13.427 4.579 1073 HD2 HIS 129 2HD HIS 129 10.687 13.075 7.964 1074 HE1 HIS 129 1HE HIS 129 8.635 10.958 4.918 1075 HE2 HIS 129 2HE HIS 129 9.858 10.773 7.122 Start of MODEL 20 1 1H MET 1 1HT MET 1 19.918 -5.744 6.746 2 2H MET 1 2HT MET 1 19.105 -6.909 7.671 3 3H MET 1 3HT MET 1 19.380 -5.367 8.311 4 HA MET 1 HA MET 1 17.085 -5.681 7.599 5 1HB MET 1 2HB MET 1 18.277 -3.447 7.556 6 2HB MET 1 1HB MET 1 18.542 -3.702 5.839 7 1HG MET 1 2HG MET 1 16.653 -2.275 6.121 8 2HG MET 1 1HG MET 1 16.094 -3.836 5.524 9 1HE MET 1 1HE MET 1 13.616 -3.041 6.216 10 2HE MET 1 2HE MET 1 14.259 -1.537 6.874 11 3HE MET 1 3HE MET 1 13.181 -2.537 7.849 12 H SER 2 H SER 2 16.973 -7.786 6.566 13 HA SER 2 HA SER 2 17.525 -7.982 3.747 14 1HB SER 2 2HB SER 2 15.982 -9.884 5.532 15 2HB SER 2 1HB SER 2 16.670 -10.251 3.950 16 HG SER 2 HG SER 2 18.697 -9.372 5.233 17 H ILE 3 H ILE 3 14.561 -8.176 5.713 18 HA ILE 3 HA ILE 3 13.023 -7.345 3.354 19 HB ILE 3 HB ILE 3 11.038 -8.123 4.490 20 1HG1 ILE 3 2HG1 ILE 3 12.890 -8.576 6.831 21 2HG1 ILE 3 1HG1 ILE 3 11.522 -7.479 6.760 22 1HG2 ILE 3 1HG2 ILE 3 13.270 -10.141 4.718 23 2HG2 ILE 3 2HG2 ILE 3 12.308 -9.794 3.281 24 3HG2 ILE 3 3HG2 ILE 3 11.547 -10.514 4.698 25 1HD1 ILE 3 1HD1 ILE 3 9.997 -9.366 6.637 26 2HD1 ILE 3 2HD1 ILE 3 11.013 -9.458 8.076 27 3HD1 ILE 3 3HD1 ILE 3 11.361 -10.483 6.682 28 H SER 4 H SER 4 11.327 -5.741 3.714 29 HA SER 4 HA SER 4 12.038 -3.840 5.837 30 1HB SER 4 2HB SER 4 11.207 -3.052 3.038 31 2HB SER 4 1HB SER 4 11.761 -1.987 4.328 32 HG SER 4 HG SER 4 13.203 -3.338 2.507 33 H THR 5 H THR 5 10.260 -5.094 6.844 34 HA THR 5 HA THR 5 8.247 -4.905 7.875 35 HB THR 5 HB THR 5 7.634 -2.556 6.061 36 HG1 THR 5 1HG THR 5 9.109 -2.591 8.505 37 1HG2 THR 5 1HG2 THR 5 5.731 -3.160 7.379 38 2HG2 THR 5 2HG2 THR 5 6.457 -1.748 8.144 39 3HG2 THR 5 3HG2 THR 5 6.721 -3.353 8.826 40 H SER 6 H SER 6 5.767 -4.913 7.222 41 HA SER 6 HA SER 6 5.210 -7.009 5.566 42 1HB SER 6 2HB SER 6 3.324 -4.681 5.903 43 2HB SER 6 1HB SER 6 2.930 -6.392 5.739 44 HG SER 6 HG SER 6 2.915 -5.327 7.932 45 H ALA 7 H ALA 7 5.742 -3.678 4.666 46 HA ALA 7 HA ALA 7 4.385 -3.576 2.242 47 1HB ALA 7 1HB ALA 7 5.279 -1.606 3.377 48 2HB ALA 7 2HB ALA 7 5.818 -1.684 1.699 49 3HB ALA 7 3HB ALA 7 6.921 -2.132 3.002 50 H GLU 8 H GLU 8 7.913 -4.254 2.715 51 HA GLU 8 HA GLU 8 8.109 -5.016 -0.046 52 1HB GLU 8 2HB GLU 8 10.083 -5.208 2.219 53 2HB GLU 8 1HB GLU 8 10.429 -5.794 0.595 54 1HG GLU 8 2HG GLU 8 9.561 -3.318 0.019 55 2HG GLU 8 1HG GLU 8 10.244 -3.040 1.619 56 H VAL 9 H VAL 9 7.714 -6.762 2.989 57 HA VAL 9 HA VAL 9 8.257 -9.352 2.020 58 HB VAL 9 HB VAL 9 6.303 -8.542 4.188 59 1HG1 VAL 9 1HG1 VAL 9 6.591 -10.842 5.014 60 2HG1 VAL 9 2HG1 VAL 9 7.539 -11.226 3.576 61 3HG1 VAL 9 3HG1 VAL 9 5.835 -10.796 3.421 62 1HG2 VAL 9 1HG2 VAL 9 9.191 -9.390 4.331 63 2HG2 VAL 9 2HG2 VAL 9 8.138 -9.106 5.717 64 3HG2 VAL 9 3HG2 VAL 9 8.557 -7.774 4.640 65 H TYR 10 H TYR 10 5.139 -7.610 2.197 66 HA TYR 10 HA TYR 10 3.617 -9.662 1.006 67 1HB TYR 10 2HB TYR 10 3.213 -6.735 1.445 68 2HB TYR 10 1HB TYR 10 2.118 -7.582 0.363 69 HD1 TYR 10 1HD TYR 10 1.030 -9.758 1.350 70 HD2 TYR 10 2HD TYR 10 2.740 -6.656 3.699 71 HE1 TYR 10 1HE TYR 10 -0.313 -10.485 3.276 72 HE2 TYR 10 2HE TYR 10 1.410 -7.377 5.633 73 HH TYR 10 HH TYR 10 -0.699 -8.603 6.055 74 H TYR 11 H TYR 11 5.416 -6.944 -0.368 75 HA TYR 11 HA TYR 11 4.571 -7.298 -3.035 76 1HB TYR 11 2HB TYR 11 5.716 -5.254 -2.307 77 2HB TYR 11 1HB TYR 11 7.182 -6.174 -1.986 78 HD1 TYR 11 2HD TYR 11 4.852 -5.225 -4.728 79 HD2 TYR 11 1HD TYR 11 8.772 -6.477 -3.663 80 HE1 TYR 11 2HE TYR 11 5.586 -4.883 -7.052 81 HE2 TYR 11 1HE TYR 11 9.517 -6.142 -5.980 82 HH TYR 11 HH TYR 11 8.445 -6.125 -8.262 83 H GLU 12 H GLU 12 7.251 -8.663 -1.177 84 HA GLU 12 HA GLU 12 8.534 -10.079 -3.199 85 1HB GLU 12 2HB GLU 12 8.310 -10.244 -0.229 86 2HB GLU 12 1HB GLU 12 9.023 -11.595 -1.068 87 1HG GLU 12 2HG GLU 12 9.958 -8.754 -1.307 88 2HG GLU 12 1HG GLU 12 10.671 -9.959 -0.235 89 H GLU 13 H GLU 13 5.881 -11.061 -1.023 90 HA GLU 13 HA GLU 13 5.658 -13.668 -2.125 91 1HB GLU 13 2HB GLU 13 3.709 -12.010 -0.525 92 2HB GLU 13 1HB GLU 13 3.394 -13.669 -1.014 93 1HG GLU 13 2HG GLU 13 5.509 -14.309 0.183 94 2HG GLU 13 1HG GLU 13 5.545 -12.671 0.833 95 H ALA 14 H ALA 14 4.229 -10.574 -2.968 96 HA ALA 14 HA ALA 14 2.368 -11.523 -4.864 97 1HB ALA 14 1HB ALA 14 2.418 -9.277 -5.792 98 2HB ALA 14 2HB ALA 14 3.902 -8.924 -4.907 99 3HB ALA 14 3HB ALA 14 2.397 -9.204 -4.029 100 H GLU 15 H GLU 15 5.740 -10.495 -5.155 101 HA GLU 15 HA GLU 15 6.132 -11.059 -7.868 102 1HB GLU 15 2HB GLU 15 8.069 -11.170 -5.547 103 2HB GLU 15 1HB GLU 15 8.550 -11.213 -7.232 104 1HG GLU 15 2HG GLU 15 7.051 -8.957 -5.933 105 2HG GLU 15 1HG GLU 15 8.793 -8.997 -6.180 106 H GLU 16 H GLU 16 6.267 -13.113 -5.016 107 HA GLU 16 HA GLU 16 7.362 -15.403 -6.150 108 1HB GLU 16 2HB GLU 16 5.596 -14.878 -3.810 109 2HB GLU 16 1HB GLU 16 6.021 -16.514 -4.247 110 1HG GLU 16 2HG GLU 16 8.015 -14.348 -3.669 111 2HG GLU 16 1HG GLU 16 7.456 -15.529 -2.485 112 H PHE 17 H PHE 17 3.952 -14.548 -5.657 113 HA PHE 17 HA PHE 17 2.948 -16.851 -6.976 114 1HB PHE 17 2HB PHE 17 1.675 -14.194 -6.330 115 2HB PHE 17 1HB PHE 17 0.802 -15.484 -7.151 116 HD1 PHE 17 1HD PHE 17 1.088 -17.860 -5.910 117 HD2 PHE 17 2HD PHE 17 1.371 -14.033 -4.070 118 HE1 PHE 17 1HE PHE 17 0.527 -18.869 -3.741 119 HE2 PHE 17 2HE PHE 17 0.815 -15.041 -1.895 120 HZ PHE 17 HZ PHE 17 0.393 -17.459 -1.727 121 H LEU 18 H LEU 18 3.794 -13.633 -8.075 122 HA LEU 18 HA LEU 18 2.778 -13.773 -10.676 123 1HB LEU 18 2HB LEU 18 3.643 -11.720 -9.685 124 2HB LEU 18 1HB LEU 18 5.259 -12.398 -9.647 125 HG LEU 18 HG LEU 18 5.269 -12.456 -12.119 126 1HD1 LEU 18 1HD1 LEU 18 2.856 -12.633 -12.475 127 2HD1 LEU 18 2HD1 LEU 18 3.546 -11.275 -13.363 128 3HD1 LEU 18 3HD1 LEU 18 2.649 -10.988 -11.872 129 1HD2 LEU 18 1HD2 LEU 18 6.224 -10.565 -10.924 130 2HD2 LEU 18 2HD2 LEU 18 4.650 -9.768 -10.907 131 3HD2 LEU 18 3HD2 LEU 18 5.483 -10.048 -12.437 132 H SER 19 H SER 19 5.742 -15.035 -9.272 133 HA SER 19 HA SER 19 6.941 -15.795 -11.741 134 1HB SER 19 2HB SER 19 7.458 -16.854 -8.951 135 2HB SER 19 1HB SER 19 8.515 -17.056 -10.348 136 HG SER 19 HG SER 19 7.739 -14.489 -9.439 137 H LYS 20 H LYS 20 4.405 -17.111 -9.885 138 HA LYS 20 HA LYS 20 4.775 -19.813 -10.913 139 1HB LYS 20 2HB LYS 20 3.966 -19.184 -8.529 140 2HB LYS 20 1HB LYS 20 2.416 -18.878 -9.299 141 1HG LYS 20 2HG LYS 20 2.474 -21.104 -8.351 142 2HG LYS 20 1HG LYS 20 2.378 -21.193 -10.114 143 1HD LYS 20 2HD LYS 20 4.781 -21.599 -10.230 144 2HD LYS 20 1HD LYS 20 4.900 -21.471 -8.476 145 1HE LYS 20 2HE LYS 20 3.466 -23.422 -8.223 146 2HE LYS 20 1HE LYS 20 3.289 -23.534 -9.972 147 1HZ LYS 20 1HZ LYS 20 5.652 -23.950 -10.167 148 2HZ LYS 20 2HZ LYS 20 4.942 -25.092 -9.133 149 3HZ LYS 20 3HZ LYS 20 5.849 -23.811 -8.486 150 H GLY 21 H GLY 21 3.329 -16.929 -11.846 151 1HA GLY 21 2HA GLY 21 2.469 -16.678 -14.041 152 2HA GLY 21 1HA GLY 21 1.947 -18.355 -14.002 153 H ASP 22 H ASP 22 1.142 -16.820 -11.120 154 HA ASP 22 HA ASP 22 -1.615 -16.493 -12.092 155 1HB ASP 22 2HB ASP 22 -1.153 -18.179 -10.250 156 2HB ASP 22 1HB ASP 22 -0.768 -16.813 -9.209 157 H LEU 23 H LEU 23 -2.228 -14.482 -12.412 158 HA LEU 23 HA LEU 23 -0.772 -12.268 -11.242 159 1HB LEU 23 2HB LEU 23 -3.136 -12.274 -13.123 160 2HB LEU 23 1HB LEU 23 -2.159 -10.879 -12.711 161 HG LEU 23 HG LEU 23 -1.107 -13.311 -14.159 162 1HD1 LEU 23 1HD1 LEU 23 -2.778 -12.183 -15.515 163 2HD1 LEU 23 2HD1 LEU 23 -1.161 -11.902 -16.161 164 3HD1 LEU 23 3HD1 LEU 23 -1.975 -10.637 -15.243 165 1HD2 LEU 23 1HD2 LEU 23 0.781 -11.832 -14.675 166 2HD2 LEU 23 2HD2 LEU 23 0.594 -12.078 -12.939 167 3HD2 LEU 23 3HD2 LEU 23 0.056 -10.570 -13.678 168 H VAL 24 H VAL 24 -3.605 -14.055 -10.592 169 HA VAL 24 HA VAL 24 -5.170 -11.881 -9.543 170 HB VAL 24 HB VAL 24 -5.684 -14.839 -9.199 171 1HG1 VAL 24 1HG1 VAL 24 -8.009 -14.154 -8.953 172 2HG1 VAL 24 2HG1 VAL 24 -7.543 -12.465 -9.162 173 3HG1 VAL 24 3HG1 VAL 24 -6.989 -13.365 -7.749 174 1HG2 VAL 24 1HG2 VAL 24 -7.113 -14.662 -11.197 175 2HG2 VAL 24 2HG2 VAL 24 -5.414 -14.375 -11.566 176 3HG2 VAL 24 3HG2 VAL 24 -6.534 -13.017 -11.452 177 H GLN 25 H GLN 25 -3.447 -14.678 -8.165 178 HA GLN 25 HA GLN 25 -4.146 -14.077 -5.470 179 1HB GLN 25 2HB GLN 25 -1.754 -15.658 -6.421 180 2HB GLN 25 1HB GLN 25 -2.491 -15.717 -4.826 181 1HG GLN 25 2HG GLN 25 -4.581 -16.555 -5.929 182 2HG GLN 25 1HG GLN 25 -3.648 -16.700 -7.418 183 1HE2 GLN 25 1HE2 GLN 25 -3.763 -18.893 -7.576 184 2HE2 GLN 25 2HE2 GLN 25 -2.994 -19.973 -6.463 185 H ALA 26 H ALA 26 -1.573 -13.032 -7.563 186 HA ALA 26 HA ALA 26 0.201 -12.034 -5.617 187 1HB ALA 26 1HB ALA 26 0.819 -12.413 -7.965 188 2HB ALA 26 2HB ALA 26 1.211 -10.778 -7.434 189 3HB ALA 26 3HB ALA 26 -0.207 -11.062 -8.444 190 H CYS 27 H CYS 27 -2.680 -10.724 -7.093 191 HA CYS 27 HA CYS 27 -2.341 -8.008 -6.589 192 1HB CYS 27 2HB CYS 27 -4.117 -8.921 -8.025 193 2HB CYS 27 1HB CYS 27 -4.913 -9.602 -6.609 194 HG CYS 27 HG CYS 27 -6.488 -7.500 -7.109 195 H GLU 28 H GLU 28 -3.883 -10.487 -4.576 196 HA GLU 28 HA GLU 28 -4.762 -8.803 -2.515 197 1HB GLU 28 2HB GLU 28 -5.531 -11.131 -2.872 198 2HB GLU 28 1HB GLU 28 -3.957 -11.718 -2.359 199 1HG GLU 28 2HG GLU 28 -5.475 -11.972 -0.547 200 2HG GLU 28 1HG GLU 28 -4.356 -10.670 -0.145 201 H LYS 29 H LYS 29 -1.672 -10.317 -3.108 202 HA LYS 29 HA LYS 29 -0.621 -9.929 -0.502 203 1HB LYS 29 2HB LYS 29 0.697 -10.464 -3.157 204 2HB LYS 29 1HB LYS 29 1.598 -10.325 -1.652 205 1HG LYS 29 2HG LYS 29 -0.622 -12.306 -2.109 206 2HG LYS 29 1HG LYS 29 1.089 -12.663 -2.342 207 1HD LYS 29 2HD LYS 29 1.538 -12.211 -0.002 208 2HD LYS 29 1HD LYS 29 -0.138 -11.720 0.252 209 1HE LYS 29 2HE LYS 29 -0.928 -13.940 -0.139 210 2HE LYS 29 1HE LYS 29 0.658 -14.467 -0.691 211 1HZ LYS 29 1HZ LYS 29 0.144 -15.192 1.579 212 2HZ LYS 29 2HZ LYS 29 0.048 -13.574 2.080 213 3HZ LYS 29 3HZ LYS 29 1.522 -14.207 1.519 214 H TYR 30 H TYR 30 0.002 -8.130 -3.572 215 HA TYR 30 HA TYR 30 1.503 -6.193 -2.078 216 1HB TYR 30 2HB TYR 30 1.721 -4.930 -4.181 217 2HB TYR 30 1HB TYR 30 2.232 -6.601 -4.326 218 HD1 TYR 30 2HD TYR 30 -0.800 -4.481 -4.940 219 HD2 TYR 30 1HD TYR 30 1.585 -7.770 -6.191 220 HE1 TYR 30 2HE TYR 30 -2.192 -4.717 -6.954 221 HE2 TYR 30 1HE TYR 30 0.210 -8.009 -8.215 222 HH TYR 30 HH TYR 30 -2.045 -7.438 -8.994 223 H TYR 31 H TYR 31 -1.801 -6.605 -2.693 224 HA TYR 31 HA TYR 31 -2.622 -3.900 -2.453 225 1HB TYR 31 2HB TYR 31 -4.189 -5.600 -3.205 226 2HB TYR 31 1HB TYR 31 -4.025 -6.474 -1.686 227 HD1 TYR 31 2HD TYR 31 -5.303 -3.346 -3.207 228 HD2 TYR 31 1HD TYR 31 -5.347 -5.897 0.198 229 HE1 TYR 31 2HE TYR 31 -7.194 -2.075 -2.281 230 HE2 TYR 31 1HE TYR 31 -7.237 -4.634 1.127 231 HH TYR 31 HH TYR 31 -8.190 -2.324 0.904 232 H LYS 32 H LYS 32 -2.144 -6.506 -0.104 233 HA LYS 32 HA LYS 32 -2.702 -4.923 2.177 234 1HB LYS 32 2HB LYS 32 -1.405 -7.587 1.728 235 2HB LYS 32 1HB LYS 32 -1.370 -6.848 3.324 236 1HG LYS 32 2HG LYS 32 -3.708 -6.912 3.526 237 2HG LYS 32 1HG LYS 32 -3.928 -7.222 1.802 238 1HD LYS 32 2HD LYS 32 -3.122 -9.436 2.005 239 2HD LYS 32 1HD LYS 32 -2.510 -9.141 3.633 240 1HE LYS 32 2HE LYS 32 -4.657 -10.460 3.475 241 2HE LYS 32 1HE LYS 32 -4.681 -9.058 4.543 242 1HZ LYS 32 1HZ LYS 32 -5.701 -9.024 1.746 243 2HZ LYS 32 2HZ LYS 32 -5.870 -7.809 2.920 244 3HZ LYS 32 3HZ LYS 32 -6.671 -9.287 3.116 245 H ALA 33 H ALA 33 0.171 -5.482 0.288 246 HA ALA 33 HA ALA 33 2.097 -4.460 2.048 247 1HB ALA 33 1HB ALA 33 2.005 -4.211 -0.960 248 2HB ALA 33 2HB ALA 33 2.664 -5.575 -0.060 249 3HB ALA 33 3HB ALA 33 3.431 -3.991 0.056 250 H ALA 34 H ALA 34 -0.210 -2.888 -0.071 251 HA ALA 34 HA ALA 34 0.894 -0.276 0.161 252 1HB ALA 34 1HB ALA 34 -0.477 -0.934 -1.747 253 2HB ALA 34 2HB ALA 34 -1.162 0.467 -0.922 254 3HB ALA 34 3HB ALA 34 -1.872 -1.128 -0.683 255 H GLU 35 H GLU 35 -1.897 -1.887 1.705 256 HA GLU 35 HA GLU 35 -2.742 0.377 3.151 257 1HB GLU 35 2HB GLU 35 -4.068 -1.183 4.507 258 2HB GLU 35 1HB GLU 35 -4.233 -1.500 2.789 259 1HG GLU 35 2HG GLU 35 -2.692 -3.370 2.965 260 2HG GLU 35 1HG GLU 35 -2.486 -3.044 4.685 261 H GLU 36 H GLU 36 -0.553 -2.264 3.990 262 HA GLU 36 HA GLU 36 -0.062 -1.502 6.651 263 1HB GLU 36 2HB GLU 36 1.534 -3.050 4.628 264 2HB GLU 36 1HB GLU 36 2.181 -2.709 6.226 265 1HG GLU 36 2HG GLU 36 -0.466 -4.063 5.815 266 2HG GLU 36 1HG GLU 36 1.057 -4.951 5.889 267 H ALA 37 H ALA 37 1.499 -0.560 3.611 268 HA ALA 37 HA ALA 37 3.532 1.031 4.768 269 1HB ALA 37 1HB ALA 37 3.611 0.229 2.447 270 2HB ALA 37 2HB ALA 37 3.821 1.977 2.553 271 3HB ALA 37 3HB ALA 37 2.274 1.305 2.039 272 H ILE 38 H ILE 38 0.252 1.800 3.645 273 HA ILE 38 HA ILE 38 0.250 4.549 4.056 274 HB ILE 38 HB ILE 38 -1.994 2.582 4.554 275 1HG1 ILE 38 2HG1 ILE 38 -1.183 2.592 2.240 276 2HG1 ILE 38 1HG1 ILE 38 -2.792 3.291 2.342 277 1HG2 ILE 38 1HG2 ILE 38 -2.137 5.582 4.284 278 2HG2 ILE 38 2HG2 ILE 38 -2.422 4.652 5.754 279 3HG2 ILE 38 3HG2 ILE 38 -3.516 4.487 4.382 280 1HD1 ILE 38 1HD1 ILE 38 -0.213 4.818 2.092 281 2HD1 ILE 38 2HD1 ILE 38 -1.824 5.530 2.214 282 3HD1 ILE 38 3HD1 ILE 38 -1.397 4.542 0.815 283 H LYS 39 H LYS 39 -0.352 1.943 6.367 284 HA LYS 39 HA LYS 39 -0.852 3.448 8.654 285 1HB LYS 39 2HB LYS 39 -1.229 1.073 8.617 286 2HB LYS 39 1HB LYS 39 0.469 0.755 8.297 287 1HG LYS 39 2HG LYS 39 1.082 1.439 10.499 288 2HG LYS 39 1HG LYS 39 -0.552 2.017 10.831 289 1HD LYS 39 2HD LYS 39 -0.134 -0.157 11.879 290 2HD LYS 39 1HD LYS 39 -1.408 -0.260 10.663 291 1HE LYS 39 2HE LYS 39 0.088 -2.168 10.498 292 2HE LYS 39 1HE LYS 39 0.210 -1.162 9.057 293 1HZ LYS 39 1HZ LYS 39 2.248 -0.243 9.860 294 2HZ LYS 39 2HZ LYS 39 2.375 -1.930 9.932 295 3HZ LYS 39 3HZ LYS 39 2.096 -1.037 11.347 296 H LEU 40 H LEU 40 2.261 2.270 7.378 297 HA LEU 40 HA LEU 40 3.928 3.322 9.343 298 1HB LEU 40 2HB LEU 40 4.243 2.490 6.515 299 2HB LEU 40 1HB LEU 40 5.525 3.455 7.203 300 HG LEU 40 HG LEU 40 5.616 1.746 9.065 301 1HD1 LEU 40 1HD1 LEU 40 3.456 0.705 8.693 302 2HD1 LEU 40 2HD1 LEU 40 4.762 -0.474 8.590 303 3HD1 LEU 40 3HD1 LEU 40 4.002 0.130 7.117 304 1HD2 LEU 40 1HD2 LEU 40 7.009 0.226 7.766 305 2HD2 LEU 40 2HD2 LEU 40 7.286 1.902 7.292 306 3HD2 LEU 40 3HD2 LEU 40 6.303 0.851 6.275 307 H LEU 41 H LEU 41 2.803 4.806 6.307 308 HA LEU 41 HA LEU 41 4.256 7.186 6.515 309 1HB LEU 41 2HB LEU 41 1.814 6.351 5.051 310 2HB LEU 41 1HB LEU 41 2.110 8.071 5.200 311 HG LEU 41 HG LEU 41 4.355 7.719 4.166 312 1HD1 LEU 41 1HD1 LEU 41 4.786 5.653 2.963 313 2HD1 LEU 41 2HD1 LEU 41 3.310 4.947 3.621 314 3HD1 LEU 41 3HD1 LEU 41 4.647 5.359 4.697 315 1HD2 LEU 41 1HD2 LEU 41 2.457 8.508 2.867 316 2HD2 LEU 41 2HD2 LEU 41 1.973 6.845 2.541 317 3HD2 LEU 41 3HD2 LEU 41 3.494 7.463 1.897 318 H VAL 42 H VAL 42 1.054 6.353 7.781 319 HA VAL 42 HA VAL 42 0.390 8.929 8.701 320 HB VAL 42 HB VAL 42 -0.515 6.255 9.788 321 1HG1 VAL 42 1HG1 VAL 42 -2.402 7.459 10.737 322 2HG1 VAL 42 2HG1 VAL 42 -1.766 8.978 10.114 323 3HG1 VAL 42 3HG1 VAL 42 -0.887 8.107 11.370 324 1HG2 VAL 42 1HG2 VAL 42 -1.794 8.093 7.766 325 2HG2 VAL 42 2HG2 VAL 42 -2.490 6.597 8.390 326 3HG2 VAL 42 3HG2 VAL 42 -1.020 6.548 7.416 327 H ILE 43 H ILE 43 1.970 6.192 10.331 328 HA ILE 43 HA ILE 43 2.252 7.400 12.853 329 HB ILE 43 HB ILE 43 4.020 5.312 11.563 330 1HG1 ILE 43 2HG1 ILE 43 1.626 4.705 11.602 331 2HG1 ILE 43 1HG1 ILE 43 2.582 3.679 12.655 332 1HG2 ILE 43 1HG2 ILE 43 5.063 6.334 13.519 333 2HG2 ILE 43 2HG2 ILE 43 4.597 4.666 13.853 334 3HG2 ILE 43 3HG2 ILE 43 3.621 5.997 14.475 335 1HD1 ILE 43 1HD1 ILE 43 0.851 5.981 13.517 336 2HD1 ILE 43 2HD1 ILE 43 1.824 4.977 14.590 337 3HD1 ILE 43 3HD1 ILE 43 0.479 4.267 13.699 338 H GLU 44 H GLU 44 4.369 7.377 10.009 339 HA GLU 44 HA GLU 44 6.531 8.694 11.289 340 1HB GLU 44 2HB GLU 44 5.841 8.220 8.398 341 2HB GLU 44 1HB GLU 44 7.283 9.105 8.884 342 1HG GLU 44 2HG GLU 44 6.616 6.280 9.690 343 2HG GLU 44 1HG GLU 44 7.753 6.748 8.424 344 H ASN 45 H ASN 45 3.641 9.845 9.752 345 HA ASN 45 HA ASN 45 4.608 12.597 9.792 346 1HB ASN 45 2HB ASN 45 2.097 11.276 8.792 347 2HB ASN 45 1HB ASN 45 2.153 13.017 9.032 348 1HD2 ASN 45 1HD2 ASN 45 3.324 10.334 7.170 349 2HD2 ASN 45 2HD2 ASN 45 4.021 11.272 5.892 350 H ASN 46 H ASN 46 3.326 10.420 11.907 351 HA ASN 46 HA ASN 46 2.271 10.472 13.912 352 1HB ASN 46 2HB ASN 46 4.293 11.921 14.356 353 2HB ASN 46 1HB ASN 46 3.262 13.323 14.088 354 1HD2 ASN 46 1HD2 ASN 46 3.454 14.104 16.164 355 2HD2 ASN 46 2HD2 ASN 46 2.748 13.313 17.533 356 H LEU 47 H LEU 47 0.511 10.818 11.912 357 HA LEU 47 HA LEU 47 -1.125 13.137 12.305 358 1HB LEU 47 2HB LEU 47 -1.769 10.526 10.945 359 2HB LEU 47 1HB LEU 47 -2.738 11.978 10.862 360 HG LEU 47 HG LEU 47 0.059 11.686 9.771 361 1HD1 LEU 47 1HD1 LEU 47 -1.537 10.418 8.467 362 2HD1 LEU 47 2HD1 LEU 47 -1.058 11.868 7.584 363 3HD1 LEU 47 3HD1 LEU 47 -2.620 11.808 8.398 364 1HD2 LEU 47 1HD2 LEU 47 -0.432 13.960 10.541 365 2HD2 LEU 47 2HD2 LEU 47 -1.903 13.969 9.571 366 3HD2 LEU 47 3HD2 LEU 47 -0.329 13.882 8.783 367 H LYS 48 H LYS 48 -1.622 13.232 14.430 368 HA LYS 48 HA LYS 48 -2.377 11.057 16.052 369 1HB LYS 48 2HB LYS 48 -1.395 13.242 16.806 370 2HB LYS 48 1HB LYS 48 -2.957 13.987 16.507 371 1HG LYS 48 2HG LYS 48 -3.986 12.684 18.224 372 2HG LYS 48 1HG LYS 48 -2.524 11.715 18.431 373 1HD LYS 48 2HD LYS 48 -1.307 13.748 19.122 374 2HD LYS 48 1HD LYS 48 -2.806 14.668 18.984 375 1HE LYS 48 2HE LYS 48 -3.825 13.351 20.729 376 2HE LYS 48 1HE LYS 48 -2.415 12.295 20.804 377 1HZ LYS 48 1HZ LYS 48 -2.460 13.967 22.584 378 2HZ LYS 48 2HZ LYS 48 -2.383 15.202 21.424 379 3HZ LYS 48 3HZ LYS 48 -1.091 14.119 21.591 380 H GLU 49 H GLU 49 -4.186 13.236 14.028 381 HA GLU 49 HA GLU 49 -6.763 12.703 15.041 382 1HB GLU 49 2HB GLU 49 -5.980 14.500 13.351 383 2HB GLU 49 1HB GLU 49 -6.169 13.243 12.145 384 1HG GLU 49 2HG GLU 49 -8.391 14.114 13.968 385 2HG GLU 49 1HG GLU 49 -8.091 14.836 12.392 386 H ILE 50 H ILE 50 -4.894 11.227 12.407 387 HA ILE 50 HA ILE 50 -6.893 9.361 11.667 388 HB ILE 50 HB ILE 50 -3.918 9.192 11.162 389 1HG1 ILE 50 2HG1 ILE 50 -4.857 11.311 10.342 390 2HG1 ILE 50 1HG1 ILE 50 -4.395 10.262 9.007 391 1HG2 ILE 50 1HG2 ILE 50 -6.225 7.905 9.706 392 2HG2 ILE 50 2HG2 ILE 50 -5.102 7.084 10.790 393 3HG2 ILE 50 3HG2 ILE 50 -4.519 7.774 9.274 394 1HD1 ILE 50 1HD1 ILE 50 -6.503 11.371 8.565 395 2HD1 ILE 50 2HD1 ILE 50 -7.192 10.687 10.037 396 3HD1 ILE 50 3HD1 ILE 50 -6.736 9.629 8.702 397 H THR 51 H THR 51 -4.053 9.147 13.791 398 HA THR 51 HA THR 51 -4.250 6.362 14.250 399 HB THR 51 HB THR 51 -2.880 6.878 16.325 400 HG1 THR 51 1HG THR 51 -2.719 8.901 16.906 401 1HG2 THR 51 1HG2 THR 51 -1.849 6.279 14.185 402 2HG2 THR 51 2HG2 THR 51 -0.881 7.475 15.048 403 3HG2 THR 51 3HG2 THR 51 -1.893 7.972 13.691 404 H ASN 52 H ASN 52 -5.720 9.163 15.792 405 HA ASN 52 HA ASN 52 -6.879 7.789 17.978 406 1HB ASN 52 2HB ASN 52 -7.405 10.400 16.621 407 2HB ASN 52 1HB ASN 52 -8.605 9.777 17.749 408 1HD2 ASN 52 1HD2 ASN 52 -5.221 9.102 18.176 409 2HD2 ASN 52 2HD2 ASN 52 -4.990 10.114 19.559 410 H ASN 53 H ASN 53 -7.721 7.943 14.625 411 HA ASN 53 HA ASN 53 -10.445 7.131 14.958 412 1HB ASN 53 2HB ASN 53 -8.576 7.302 12.611 413 2HB ASN 53 1HB ASN 53 -10.149 6.553 12.460 414 1HD2 ASN 53 1HD2 ASN 53 -9.405 9.343 14.457 415 2HD2 ASN 53 2HD2 ASN 53 -10.329 10.480 13.539 416 H VAL 54 H VAL 54 -7.454 5.555 15.160 417 HA VAL 54 HA VAL 54 -8.312 2.972 14.207 418 HB VAL 54 HB VAL 54 -5.893 3.604 15.910 419 1HG1 VAL 54 1HG1 VAL 54 -4.954 1.577 14.871 420 2HG1 VAL 54 2HG1 VAL 54 -6.497 1.295 14.065 421 3HG1 VAL 54 3HG1 VAL 54 -6.398 1.238 15.825 422 1HG2 VAL 54 1HG2 VAL 54 -5.870 4.998 13.918 423 2HG2 VAL 54 2HG2 VAL 54 -6.131 3.578 12.906 424 3HG2 VAL 54 3HG2 VAL 54 -4.631 3.748 13.817 425 H LYS 55 H LYS 55 -8.714 4.754 17.041 426 HA LYS 55 HA LYS 55 -8.765 2.718 19.011 427 1HB LYS 55 2HB LYS 55 -8.668 5.212 19.385 428 2HB LYS 55 1HB LYS 55 -10.371 5.278 18.976 429 1HG LYS 55 2HG LYS 55 -10.845 3.749 20.863 430 2HG LYS 55 1HG LYS 55 -9.139 3.824 21.306 431 1HD LYS 55 2HD LYS 55 -9.328 6.249 21.603 432 2HD LYS 55 1HD LYS 55 -11.037 6.164 21.168 433 1HE LYS 55 2HE LYS 55 -11.420 4.669 23.089 434 2HE LYS 55 1HE LYS 55 -9.726 4.848 23.546 435 1HZ LYS 55 1HZ LYS 55 -11.121 6.328 24.826 436 2HZ LYS 55 2HZ LYS 55 -11.742 7.028 23.413 437 3HZ LYS 55 3HZ LYS 55 -10.107 7.235 23.811 438 H ASN 56 H ASN 56 -10.850 3.559 16.480 439 HA ASN 56 HA ASN 56 -13.356 2.748 17.455 440 1HB ASN 56 2HB ASN 56 -12.810 3.996 15.283 441 2HB ASN 56 1HB ASN 56 -12.445 2.420 14.599 442 1HD2 ASN 56 1HD2 ASN 56 -14.678 1.232 16.298 443 2HD2 ASN 56 2HD2 ASN 56 -16.118 1.652 15.432 444 H LYS 57 H LYS 57 -11.019 0.951 15.474 445 HA LYS 57 HA LYS 57 -12.330 -1.539 16.238 446 1HB LYS 57 2HB LYS 57 -10.671 -0.668 13.903 447 2HB LYS 57 1HB LYS 57 -10.827 -2.360 14.300 448 1HG LYS 57 2HG LYS 57 -13.281 -2.137 14.123 449 2HG LYS 57 1HG LYS 57 -13.049 -0.468 13.613 450 1HD LYS 57 2HD LYS 57 -11.921 -1.141 11.629 451 2HD LYS 57 1HD LYS 57 -11.816 -2.812 12.181 452 1HE LYS 57 2HE LYS 57 -14.256 -2.994 12.074 453 2HE LYS 57 1HE LYS 57 -14.353 -1.328 11.509 454 1HZ LYS 57 1HZ LYS 57 -13.324 -1.886 9.489 455 2HZ LYS 57 2HZ LYS 57 -14.450 -3.124 9.757 456 3HZ LYS 57 3HZ LYS 57 -12.810 -3.398 10.060 457 H GLY 58 H GLY 58 -10.411 -3.382 15.898 458 1HA GLY 58 2HA GLY 58 -8.383 -2.690 17.899 459 2HA GLY 58 1HA GLY 58 -8.762 -4.307 17.317 460 H ARG 59 H ARG 59 -8.709 -2.647 14.605 461 HA ARG 59 HA ARG 59 -5.854 -2.374 14.214 462 1HB ARG 59 2HB ARG 59 -6.513 -4.816 13.778 463 2HB ARG 59 1HB ARG 59 -7.426 -4.219 12.402 464 1HG ARG 59 2HG ARG 59 -4.573 -3.429 12.582 465 2HG ARG 59 1HG ARG 59 -4.926 -5.114 12.202 466 1HD ARG 59 2HD ARG 59 -6.312 -4.390 10.316 467 2HD ARG 59 1HD ARG 59 -5.962 -2.708 10.700 468 HE ARG 59 HE ARG 59 -3.503 -3.878 10.363 469 1HH1 ARG 59 1HH1 ARG 59 -6.380 -3.513 8.394 470 2HH1 ARG 59 2HH1 ARG 59 -5.508 -3.558 6.885 471 1HH2 ARG 59 1HH2 ARG 59 -2.343 -3.852 8.352 472 2HH2 ARG 59 2HH2 ARG 59 -3.255 -3.733 6.871 473 H TRP 60 H TRP 60 -5.407 -1.309 12.167 474 HA TRP 60 HA TRP 60 -6.951 0.886 11.619 475 1HB TRP 60 2HB TRP 60 -4.988 -0.578 9.857 476 2HB TRP 60 1HB TRP 60 -5.683 0.985 9.437 477 HD1 TRP 60 HD TRP 60 -3.774 -0.497 12.497 478 HE1 TRP 60 1HE TRP 60 -2.147 1.308 13.359 479 HE3 TRP 60 3HE TRP 60 -4.919 3.244 9.203 480 HZ2 TRP 60 2HZ TRP 60 -1.447 3.963 12.711 481 HZ3 TRP 60 3HZ TRP 60 -3.721 5.385 9.395 482 HH2 TRP 60 HH TRP 60 -2.022 5.732 11.110 483 H LYS 61 H LYS 61 -8.630 1.374 10.385 484 HA LYS 61 HA LYS 61 -9.997 -0.866 9.073 485 1HB LYS 61 2HB LYS 61 -12.053 0.518 9.389 486 2HB LYS 61 1HB LYS 61 -11.276 0.035 10.890 487 1HG LYS 61 2HG LYS 61 -10.313 2.229 11.148 488 2HG LYS 61 1HG LYS 61 -10.955 2.729 9.583 489 1HD LYS 61 2HD LYS 61 -13.242 2.365 10.445 490 2HD LYS 61 1HD LYS 61 -12.558 1.956 12.019 491 1HE LYS 61 2HE LYS 61 -11.683 4.154 12.295 492 2HE LYS 61 1HE LYS 61 -12.056 4.577 10.625 493 1HZ LYS 61 1HZ LYS 61 -13.999 4.074 12.810 494 2HZ LYS 61 2HZ LYS 61 -14.432 4.286 11.186 495 3HZ LYS 61 3HZ LYS 61 -13.683 5.552 12.038 496 H SER 62 H SER 62 -11.488 -0.179 7.283 497 HA SER 62 HA SER 62 -10.057 0.771 5.115 498 1HB SER 62 2HB SER 62 -12.416 1.024 4.091 499 2HB SER 62 1HB SER 62 -11.928 -0.576 4.654 500 HG SER 62 HG SER 62 -13.992 0.952 5.472 501 H GLU 63 H GLU 63 -12.227 2.517 7.278 502 HA GLU 63 HA GLU 63 -12.570 4.843 5.799 503 1HB GLU 63 2HB GLU 63 -12.499 4.467 8.793 504 2HB GLU 63 1HB GLU 63 -13.083 5.912 7.984 505 1HG GLU 63 2HG GLU 63 -14.860 4.647 6.933 506 2HG GLU 63 1HG GLU 63 -14.245 3.157 7.646 507 H ASN 64 H ASN 64 -9.984 3.964 8.038 508 HA ASN 64 HA ASN 64 -8.770 6.511 8.147 509 1HB ASN 64 2HB ASN 64 -7.737 3.729 8.703 510 2HB ASN 64 1HB ASN 64 -6.789 5.178 8.968 511 1HD2 ASN 64 1HD2 ASN 64 -6.611 4.867 11.152 512 2HD2 ASN 64 2HD2 ASN 64 -7.942 5.061 12.233 513 H LEU 65 H LEU 65 -8.562 3.841 5.947 514 HA LEU 65 HA LEU 65 -5.998 4.400 4.905 515 1HB LEU 65 2HB LEU 65 -8.290 2.859 3.693 516 2HB LEU 65 1HB LEU 65 -6.635 2.830 3.113 517 HG LEU 65 HG LEU 65 -7.513 1.893 5.849 518 1HD1 LEU 65 1HD1 LEU 65 -7.089 -0.358 5.010 519 2HD1 LEU 65 2HD1 LEU 65 -6.767 0.297 3.404 520 3HD1 LEU 65 3HD1 LEU 65 -8.379 0.435 4.106 521 1HD2 LEU 65 1HD2 LEU 65 -4.864 1.697 4.423 522 2HD2 LEU 65 2HD2 LEU 65 -5.253 0.956 5.975 523 3HD2 LEU 65 3HD2 LEU 65 -5.226 2.712 5.819 524 H PHE 66 H PHE 66 -9.268 5.087 3.574 525 HA PHE 66 HA PHE 66 -8.097 6.595 1.429 526 1HB PHE 66 2HB PHE 66 -10.394 7.205 0.800 527 2HB PHE 66 1HB PHE 66 -10.201 5.474 1.008 528 HD1 PHE 66 1HD PHE 66 -11.516 8.532 2.640 529 HD2 PHE 66 2HD PHE 66 -11.588 4.280 2.453 530 HE1 PHE 66 1HE PHE 66 -13.491 8.501 4.108 531 HE2 PHE 66 2HE PHE 66 -13.555 4.244 3.924 532 HZ PHE 66 HZ PHE 66 -14.512 6.354 4.754 533 H LYS 67 H LYS 67 -9.212 7.291 4.621 534 HA LYS 67 HA LYS 67 -9.593 10.080 4.395 535 1HB LYS 67 2HB LYS 67 -10.062 8.381 6.367 536 2HB LYS 67 1HB LYS 67 -8.456 8.867 6.880 537 1HG LYS 67 2HG LYS 67 -9.217 11.233 6.824 538 2HG LYS 67 1HG LYS 67 -10.850 10.645 6.506 539 1HD LYS 67 2HD LYS 67 -10.706 9.317 8.613 540 2HD LYS 67 1HD LYS 67 -9.160 10.103 8.945 541 1HE LYS 67 2HE LYS 67 -10.356 12.300 8.781 542 2HE LYS 67 1HE LYS 67 -11.869 11.400 8.705 543 1HZ LYS 67 1HZ LYS 67 -9.965 11.628 10.956 544 2HZ LYS 67 2HZ LYS 67 -11.069 10.341 10.871 545 3HZ LYS 67 3HZ LYS 67 -11.634 11.934 10.933 546 H ALA 68 H ALA 68 -6.822 8.156 5.463 547 HA ALA 68 HA ALA 68 -5.012 10.269 5.815 548 1HB ALA 68 1HB ALA 68 -4.624 8.020 6.691 549 2HB ALA 68 2HB ALA 68 -3.263 8.571 5.716 550 3HB ALA 68 3HB ALA 68 -4.414 7.413 5.050 551 H SER 69 H SER 69 -5.623 8.219 2.981 552 HA SER 69 HA SER 69 -3.604 9.232 1.338 553 1HB SER 69 2HB SER 69 -6.309 8.151 0.510 554 2HB SER 69 1HB SER 69 -4.883 8.283 -0.521 555 HG SER 69 HG SER 69 -5.363 6.552 1.652 556 H LYS 70 H LYS 70 -6.794 10.470 2.060 557 HA LYS 70 HA LYS 70 -6.941 12.432 0.018 558 1HB LYS 70 2HB LYS 70 -8.761 11.498 1.635 559 2HB LYS 70 1HB LYS 70 -8.178 12.717 2.747 560 1HG LYS 70 2HG LYS 70 -9.142 13.391 -0.017 561 2HG LYS 70 1HG LYS 70 -10.213 13.312 1.379 562 1HD LYS 70 2HD LYS 70 -8.731 15.004 2.494 563 2HD LYS 70 1HD LYS 70 -7.875 15.169 0.959 564 1HE LYS 70 2HE LYS 70 -9.986 15.812 -0.127 565 2HE LYS 70 1HE LYS 70 -10.812 15.685 1.424 566 1HZ LYS 70 1HZ LYS 70 -10.280 17.966 0.951 567 2HZ LYS 70 2HZ LYS 70 -8.645 17.596 0.737 568 3HZ LYS 70 3HZ LYS 70 -9.347 17.450 2.272 569 H LEU 71 H LEU 71 -5.974 12.543 3.410 570 HA LEU 71 HA LEU 71 -5.331 15.319 3.394 571 1HB LEU 71 2HB LEU 71 -4.557 13.182 5.378 572 2HB LEU 71 1HB LEU 71 -4.476 14.913 5.648 573 HG LEU 71 HG LEU 71 -7.005 13.322 5.202 574 1HD1 LEU 71 1HD1 LEU 71 -7.471 13.833 7.549 575 2HD1 LEU 71 2HD1 LEU 71 -5.888 14.600 7.693 576 3HD1 LEU 71 3HD1 LEU 71 -6.003 12.870 7.369 577 1HD2 LEU 71 1HD2 LEU 71 -7.175 15.598 4.325 578 2HD2 LEU 71 2HD2 LEU 71 -6.632 16.240 5.874 579 3HD2 LEU 71 3HD2 LEU 71 -8.173 15.389 5.764 580 H LEU 72 H LEU 72 -3.471 12.381 2.916 581 HA LEU 72 HA LEU 72 -0.928 13.555 3.403 582 1HB LEU 72 2HB LEU 72 -1.747 10.993 2.068 583 2HB LEU 72 1HB LEU 72 -0.069 11.472 2.235 584 HG LEU 72 HG LEU 72 -1.986 11.013 4.524 585 1HD1 LEU 72 1HD1 LEU 72 0.308 9.341 3.507 586 2HD1 LEU 72 2HD1 LEU 72 -1.407 8.934 3.408 587 3HD1 LEU 72 3HD1 LEU 72 -0.614 9.036 4.980 588 1HD2 LEU 72 1HD2 LEU 72 -0.009 11.221 5.942 589 2HD2 LEU 72 2HD2 LEU 72 -0.298 12.706 5.035 590 3HD2 LEU 72 3HD2 LEU 72 0.974 11.599 4.527 591 H ARG 73 H ARG 73 -2.960 14.194 0.894 592 HA ARG 73 HA ARG 73 -1.141 14.287 -1.284 593 1HB ARG 73 2HB ARG 73 -3.632 14.524 -1.496 594 2HB ARG 73 1HB ARG 73 -3.486 16.136 -0.806 595 1HG ARG 73 2HG ARG 73 -1.892 16.659 -2.697 596 2HG ARG 73 1HG ARG 73 -2.412 15.138 -3.425 597 1HD ARG 73 2HD ARG 73 -3.730 16.868 -4.378 598 2HD ARG 73 1HD ARG 73 -4.761 15.968 -3.268 599 HE ARG 73 HE ARG 73 -3.566 18.605 -2.668 600 1HH1 ARG 73 1HH1 ARG 73 -6.122 16.235 -2.366 601 2HH1 ARG 73 2HH1 ARG 73 -7.157 17.277 -1.432 602 1HH2 ARG 73 1HH2 ARG 73 -4.891 19.962 -1.393 603 2HH2 ARG 73 2HH2 ARG 73 -6.434 19.383 -0.833 604 H SER 74 H SER 74 -1.691 16.261 1.490 605 HA SER 74 HA SER 74 -0.327 18.601 0.762 606 1HB SER 74 2HB SER 74 -1.699 18.314 2.827 607 2HB SER 74 1HB SER 74 -0.434 17.284 3.493 608 HG SER 74 HG SER 74 0.835 18.983 3.791 609 H ASN 75 H ASN 75 0.785 15.429 1.631 610 HA ASN 75 HA ASN 75 3.553 16.234 1.939 611 1HB ASN 75 2HB ASN 75 2.566 14.326 3.246 612 2HB ASN 75 1HB ASN 75 2.387 13.441 1.739 613 1HD2 ASN 75 1HD2 ASN 75 4.593 14.631 4.123 614 2HD2 ASN 75 2HD2 ASN 75 5.977 13.741 3.583 615 H ASN 76 H ASN 76 1.650 14.232 -0.278 616 HA ASN 76 HA ASN 76 3.294 15.035 -2.524 617 1HB ASN 76 2HB ASN 76 4.560 13.137 -1.692 618 2HB ASN 76 1HB ASN 76 3.102 12.161 -1.588 619 1HD2 ASN 76 1HD2 ASN 76 4.093 10.598 -2.870 620 2HD2 ASN 76 2HD2 ASN 76 4.270 10.793 -4.582 621 H THR 77 H THR 77 2.093 15.152 -4.356 622 HA THR 77 HA THR 77 -0.729 14.863 -4.076 623 HB THR 77 HB THR 77 0.331 16.655 -5.433 624 HG1 THR 77 1HG THR 77 -1.556 14.917 -6.682 625 1HG2 THR 77 1HG2 THR 77 2.092 15.321 -6.497 626 2HG2 THR 77 2HG2 THR 77 1.110 16.166 -7.695 627 3HG2 THR 77 3HG2 THR 77 0.870 14.440 -7.414 628 H GLU 78 H GLU 78 1.747 12.743 -5.155 629 HA GLU 78 HA GLU 78 0.044 11.134 -6.807 630 1HB GLU 78 2HB GLU 78 2.832 10.723 -5.749 631 2HB GLU 78 1HB GLU 78 2.017 9.606 -6.828 632 1HG GLU 78 2HG GLU 78 1.844 11.348 -8.519 633 2HG GLU 78 1HG GLU 78 2.641 12.482 -7.433 634 H ILE 79 H ILE 79 0.474 11.421 -3.472 635 HA ILE 79 HA ILE 79 0.467 8.800 -2.547 636 HB ILE 79 HB ILE 79 -0.869 11.185 -1.267 637 1HG1 ILE 79 2HG1 ILE 79 1.578 11.404 -1.643 638 2HG1 ILE 79 1HG1 ILE 79 1.128 11.403 0.059 639 1HG2 ILE 79 1HG2 ILE 79 -0.172 8.516 -0.067 640 2HG2 ILE 79 2HG2 ILE 79 -1.795 9.139 -0.366 641 3HG2 ILE 79 3HG2 ILE 79 -0.755 9.920 0.827 642 1HD1 ILE 79 1HD1 ILE 79 3.121 10.108 -0.291 643 2HD1 ILE 79 2HD1 ILE 79 2.297 9.095 -1.480 644 3HD1 ILE 79 3HD1 ILE 79 1.801 9.054 0.213 645 HA PRO 80 HA PRO 80 -4.413 8.844 -2.460 646 1HB PRO 80 2HB PRO 80 -5.041 10.719 -4.658 647 2HB PRO 80 1HB PRO 80 -5.812 10.537 -3.080 648 1HG PRO 80 2HG PRO 80 -4.256 12.639 -3.641 649 2HG PRO 80 1HG PRO 80 -4.280 11.902 -2.026 650 1HD PRO 80 2HD PRO 80 -2.255 11.623 -4.213 651 2HD PRO 80 1HD PRO 80 -2.014 11.766 -2.464 652 H ILE 81 H ILE 81 -2.577 9.369 -5.390 653 HA ILE 81 HA ILE 81 -4.210 7.808 -7.117 654 HB ILE 81 HB ILE 81 -1.284 8.529 -7.419 655 1HG1 ILE 81 2HG1 ILE 81 -3.735 9.949 -8.490 656 2HG1 ILE 81 1HG1 ILE 81 -2.783 10.492 -7.115 657 1HG2 ILE 81 1HG2 ILE 81 -1.672 8.186 -9.818 658 2HG2 ILE 81 2HG2 ILE 81 -3.321 7.669 -9.471 659 3HG2 ILE 81 3HG2 ILE 81 -1.958 6.711 -8.892 660 1HD1 ILE 81 1HD1 ILE 81 -0.836 10.737 -8.587 661 2HD1 ILE 81 2HD1 ILE 81 -2.197 11.741 -9.092 662 3HD1 ILE 81 3HD1 ILE 81 -1.831 10.248 -9.958 663 H LEU 82 H LEU 82 -1.258 7.186 -5.275 664 HA LEU 82 HA LEU 82 -0.652 4.642 -6.249 665 1HB LEU 82 2HB LEU 82 -0.199 5.624 -3.431 666 2HB LEU 82 1HB LEU 82 0.686 4.357 -4.259 667 HG LEU 82 HG LEU 82 0.728 7.292 -4.954 668 1HD1 LEU 82 1HD1 LEU 82 3.055 7.184 -4.222 669 2HD1 LEU 82 2HD1 LEU 82 2.829 5.500 -3.753 670 3HD1 LEU 82 3HD1 LEU 82 1.946 6.775 -2.915 671 1HD2 LEU 82 1HD2 LEU 82 0.929 5.886 -6.941 672 2HD2 LEU 82 2HD2 LEU 82 2.241 4.991 -6.177 673 3HD2 LEU 82 3HD2 LEU 82 2.450 6.697 -6.570 674 H TRP 83 H TRP 83 -2.615 5.582 -3.449 675 HA TRP 83 HA TRP 83 -3.254 2.926 -2.682 676 1HB TRP 83 2HB TRP 83 -3.403 4.751 -1.075 677 2HB TRP 83 1HB TRP 83 -4.646 5.539 -2.044 678 HD1 TRP 83 HD TRP 83 -7.012 5.140 -1.150 679 HE1 TRP 83 1HE TRP 83 -8.197 3.286 0.188 680 HE3 TRP 83 3HE TRP 83 -3.110 1.865 -0.664 681 HZ2 TRP 83 2HZ TRP 83 -7.559 0.771 1.302 682 HZ3 TRP 83 3HZ TRP 83 -3.486 -0.239 0.546 683 HH2 TRP 83 HH TRP 83 -5.663 -0.773 1.511 684 H LYS 84 H LYS 84 -4.805 5.299 -4.770 685 HA LYS 84 HA LYS 84 -7.296 3.992 -4.967 686 1HB LYS 84 2HB LYS 84 -6.799 6.388 -5.566 687 2HB LYS 84 1HB LYS 84 -6.065 5.795 -7.045 688 1HG LYS 84 2HG LYS 84 -8.084 5.092 -7.928 689 2HG LYS 84 1HG LYS 84 -8.867 5.030 -6.348 690 1HD LYS 84 2HD LYS 84 -8.788 7.475 -6.219 691 2HD LYS 84 1HD LYS 84 -8.022 7.530 -7.809 692 1HE LYS 84 2HE LYS 84 -9.965 6.674 -8.870 693 2HE LYS 84 1HE LYS 84 -10.704 6.250 -7.326 694 1HZ LYS 84 1HZ LYS 84 -10.092 9.031 -8.170 695 2HZ LYS 84 2HZ LYS 84 -10.960 8.547 -6.794 696 3HZ LYS 84 3HZ LYS 84 -11.615 8.297 -8.334 697 H SER 85 H SER 85 -4.338 3.780 -6.883 698 HA SER 85 HA SER 85 -5.223 2.129 -8.929 699 1HB SER 85 2HB SER 85 -2.549 2.085 -7.507 700 2HB SER 85 1HB SER 85 -2.881 1.291 -9.045 701 HG SER 85 HG SER 85 -1.951 3.318 -9.403 702 H ALA 86 H ALA 86 -4.030 1.193 -5.712 703 HA ALA 86 HA ALA 86 -4.409 -1.601 -6.113 704 1HB ALA 86 1HB ALA 86 -2.834 -0.703 -4.457 705 2HB ALA 86 2HB ALA 86 -3.997 -1.808 -3.724 706 3HB ALA 86 3HB ALA 86 -4.188 -0.066 -3.524 707 H TRP 87 H TRP 87 -6.321 0.941 -4.609 708 HA TRP 87 HA TRP 87 -8.396 -0.598 -3.555 709 1HB TRP 87 2HB TRP 87 -8.025 1.807 -3.077 710 2HB TRP 87 1HB TRP 87 -8.543 2.201 -4.709 711 HD1 TRP 87 HD TRP 87 -10.953 2.938 -4.857 712 HE1 TRP 87 1HE TRP 87 -13.099 2.613 -3.464 713 HE3 TRP 87 3HE TRP 87 -9.121 -0.246 -1.309 714 HZ2 TRP 87 2HZ TRP 87 -13.896 1.187 -1.160 715 HZ3 TRP 87 3HZ TRP 87 -10.638 -1.043 0.458 716 HH2 TRP 87 HH TRP 87 -12.978 -0.340 0.528 717 H THR 88 H THR 88 -7.973 0.792 -6.776 718 HA THR 88 HA THR 88 -10.466 0.163 -7.857 719 HB THR 88 HB THR 88 -7.809 0.244 -9.306 720 HG1 THR 88 1HG THR 88 -8.196 2.192 -8.221 721 1HG2 THR 88 1HG2 THR 88 -9.162 0.830 -11.272 722 2HG2 THR 88 2HG2 THR 88 -10.632 0.613 -10.322 723 3HG2 THR 88 3HG2 THR 88 -9.585 -0.766 -10.651 724 H LEU 89 H LEU 89 -7.484 -1.776 -7.718 725 HA LEU 89 HA LEU 89 -8.459 -3.918 -9.280 726 1HB LEU 89 2HB LEU 89 -6.318 -3.896 -7.153 727 2HB LEU 89 1HB LEU 89 -6.634 -5.247 -8.220 728 HG LEU 89 HG LEU 89 -5.467 -2.563 -8.910 729 1HD1 LEU 89 1HD1 LEU 89 -3.960 -4.304 -8.119 730 2HD1 LEU 89 2HD1 LEU 89 -3.677 -3.922 -9.817 731 3HD1 LEU 89 3HD1 LEU 89 -4.551 -5.390 -9.379 732 1HD2 LEU 89 1HD2 LEU 89 -5.561 -3.227 -11.269 733 2HD2 LEU 89 2HD2 LEU 89 -7.175 -3.022 -10.588 734 3HD2 LEU 89 3HD2 LEU 89 -6.518 -4.642 -10.830 735 H HIS 90 H HIS 90 -8.674 -3.163 -5.868 736 HA HIS 90 HA HIS 90 -9.593 -5.689 -4.990 737 1HB HIS 90 2HB HIS 90 -8.699 -3.864 -3.515 738 2HB HIS 90 1HB HIS 90 -10.208 -2.994 -3.758 739 HD1 HIS 90 1HD HIS 90 -9.673 -3.525 -0.939 740 HD2 HIS 90 2HD HIS 90 -11.433 -6.434 -3.337 741 HE1 HIS 90 1HE HIS 90 -10.867 -5.076 0.637 742 HE2 HIS 90 2HE HIS 90 -11.822 -6.893 -0.825 743 H VAL 91 H VAL 91 -11.322 -2.714 -5.894 744 HA VAL 91 HA VAL 91 -13.903 -3.757 -5.386 745 HB VAL 91 HB VAL 91 -13.156 -1.471 -7.222 746 1HG1 VAL 91 1HG1 VAL 91 -15.434 -2.253 -7.574 747 2HG1 VAL 91 2HG1 VAL 91 -15.425 -0.668 -6.803 748 3HG1 VAL 91 3HG1 VAL 91 -15.762 -2.112 -5.848 749 1HG2 VAL 91 1HG2 VAL 91 -13.579 -0.020 -5.304 750 2HG2 VAL 91 2HG2 VAL 91 -12.260 -1.144 -4.976 751 3HG2 VAL 91 3HG2 VAL 91 -13.859 -1.435 -4.289 752 H GLU 92 H GLU 92 -12.076 -3.347 -8.426 753 HA GLU 92 HA GLU 92 -14.155 -4.381 -10.064 754 1HB GLU 92 2HB GLU 92 -11.199 -4.109 -10.609 755 2HB GLU 92 1HB GLU 92 -12.416 -4.482 -11.820 756 1HG GLU 92 2HG GLU 92 -12.179 -1.946 -10.222 757 2HG GLU 92 1HG GLU 92 -11.839 -2.156 -11.939 758 H GLY 93 H GLY 93 -11.613 -5.836 -8.223 759 1HA GLY 93 2HA GLY 93 -11.378 -8.278 -9.629 760 2HA GLY 93 1HA GLY 93 -10.904 -8.001 -7.962 761 H PHE 94 H PHE 94 -13.914 -7.117 -7.663 762 HA PHE 94 HA PHE 94 -14.800 -9.705 -6.778 763 1HB PHE 94 2HB PHE 94 -15.360 -7.694 -5.485 764 2HB PHE 94 1HB PHE 94 -16.274 -7.059 -6.850 765 HD1 PHE 94 1HD PHE 94 -16.121 -10.235 -4.890 766 HD2 PHE 94 2HD PHE 94 -18.546 -7.219 -6.657 767 HE1 PHE 94 1HE PHE 94 -18.132 -11.371 -4.051 768 HE2 PHE 94 2HE PHE 94 -20.565 -8.350 -5.820 769 HZ PHE 94 HZ PHE 94 -20.362 -10.430 -4.515 770 H HIS 95 H HIS 95 -15.073 -7.873 -9.662 771 HA HIS 95 HA HIS 95 -17.445 -9.336 -10.538 772 1HB HIS 95 2HB HIS 95 -15.867 -7.083 -11.759 773 2HB HIS 95 1HB HIS 95 -17.065 -7.979 -12.685 774 HD1 HIS 95 1HD HIS 95 -19.577 -7.845 -11.749 775 HD2 HIS 95 2HD HIS 95 -16.870 -5.091 -10.198 776 HE1 HIS 95 1HE HIS 95 -20.973 -6.035 -10.699 777 HE2 HIS 95 2HE HIS 95 -19.317 -4.324 -9.867 778 H GLU 96 H GLU 96 -14.372 -8.574 -12.148 779 HA GLU 96 HA GLU 96 -14.470 -11.263 -13.335 780 1HB GLU 96 2HB GLU 96 -13.418 -8.695 -14.536 781 2HB GLU 96 1HB GLU 96 -13.355 -10.275 -15.306 782 1HG GLU 96 2HG GLU 96 -15.715 -10.377 -15.495 783 2HG GLU 96 1HG GLU 96 -15.925 -8.968 -14.459 784 H LEU 97 H LEU 97 -12.988 -12.508 -12.473 785 HA LEU 97 HA LEU 97 -10.624 -11.445 -11.226 786 1HB LEU 97 2HB LEU 97 -11.683 -14.231 -11.629 787 2HB LEU 97 1HB LEU 97 -10.069 -13.956 -11.007 788 HG LEU 97 HG LEU 97 -11.535 -14.381 -9.164 789 1HD1 LEU 97 1HD1 LEU 97 -11.252 -12.340 -7.850 790 2HD1 LEU 97 2HD1 LEU 97 -10.890 -11.442 -9.325 791 3HD1 LEU 97 3HD1 LEU 97 -9.806 -12.723 -8.783 792 1HD2 LEU 97 1HD2 LEU 97 -13.480 -12.994 -8.668 793 2HD2 LEU 97 2HD2 LEU 97 -13.657 -13.810 -10.221 794 3HD2 LEU 97 3HD2 LEU 97 -13.233 -12.099 -10.167 795 H SER 98 H SER 98 -10.073 -10.431 -13.396 796 HA SER 98 HA SER 98 -7.929 -12.001 -14.509 797 1HB SER 98 2HB SER 98 -8.669 -11.635 -16.863 798 2HB SER 98 1HB SER 98 -9.747 -12.701 -15.962 799 HG SER 98 HG SER 98 -10.239 -9.924 -16.101 800 H LEU 99 H LEU 99 -6.735 -10.357 -13.466 801 HA LEU 99 HA LEU 99 -6.920 -7.656 -14.507 802 1HB LEU 99 2HB LEU 99 -4.925 -8.877 -12.595 803 2HB LEU 99 1HB LEU 99 -5.082 -7.171 -12.961 804 HG LEU 99 HG LEU 99 -7.167 -8.859 -11.576 805 1HD1 LEU 99 1HD1 LEU 99 -5.225 -8.469 -10.168 806 2HD1 LEU 99 2HD1 LEU 99 -6.602 -7.527 -9.601 807 3HD1 LEU 99 3HD1 LEU 99 -5.310 -6.740 -10.505 808 1HD2 LEU 99 1HD2 LEU 99 -8.301 -6.722 -11.171 809 2HD2 LEU 99 2HD2 LEU 99 -8.179 -7.086 -12.893 810 3HD2 LEU 99 3HD2 LEU 99 -7.095 -5.902 -12.163 811 H ASN 100 H ASN 100 -5.793 -6.978 -16.217 812 HA ASN 100 HA ASN 100 -4.239 -8.832 -17.709 813 1HB ASN 100 2HB ASN 100 -4.409 -5.844 -18.092 814 2HB ASN 100 1HB ASN 100 -3.853 -7.016 -19.272 815 1HD2 ASN 100 1HD2 ASN 100 -6.622 -5.690 -17.631 816 2HD2 ASN 100 2HD2 ASN 100 -7.816 -6.378 -18.690 817 H GLU 101 H GLU 101 -2.058 -8.818 -18.145 818 HA GLU 101 HA GLU 101 -0.475 -8.347 -15.825 819 1HB GLU 101 2HB GLU 101 -0.188 -10.178 -17.597 820 2HB GLU 101 1HB GLU 101 0.600 -8.950 -18.575 821 1HG GLU 101 2HG GLU 101 2.221 -8.604 -16.718 822 2HG GLU 101 1HG GLU 101 1.483 -9.973 -15.889 823 H LYS 102 H LYS 102 -0.963 -6.727 -18.858 824 HA LYS 102 HA LYS 102 1.144 -4.902 -18.837 825 1HB LYS 102 2HB LYS 102 -0.747 -5.509 -20.580 826 2HB LYS 102 1HB LYS 102 -1.567 -4.143 -19.844 827 1HG LYS 102 2HG LYS 102 1.227 -3.899 -20.881 828 2HG LYS 102 1HG LYS 102 -0.168 -3.762 -21.947 829 1HD LYS 102 2HD LYS 102 -1.030 -1.955 -20.450 830 2HD LYS 102 1HD LYS 102 0.499 -2.033 -19.571 831 1HE LYS 102 2HE LYS 102 0.479 -0.239 -21.257 832 2HE LYS 102 1HE LYS 102 1.725 -1.445 -21.571 833 1HZ LYS 102 1HZ LYS 102 0.340 -2.441 -23.252 834 2HZ LYS 102 2HZ LYS 102 0.507 -0.784 -23.582 835 3HZ LYS 102 3HZ LYS 102 -0.930 -1.373 -22.903 836 H GLU 103 H GLU 103 -1.992 -4.864 -17.234 837 HA GLU 103 HA GLU 103 -1.780 -2.160 -16.330 838 1HB GLU 103 2HB GLU 103 -3.599 -4.381 -15.380 839 2HB GLU 103 1HB GLU 103 -3.814 -2.662 -15.108 840 1HG GLU 103 2HG GLU 103 -4.131 -2.291 -17.480 841 2HG GLU 103 1HG GLU 103 -3.845 -4.002 -17.796 842 H VAL 104 H VAL 104 -1.175 -5.365 -15.019 843 HA VAL 104 HA VAL 104 -0.672 -4.711 -12.352 844 HB VAL 104 HB VAL 104 0.646 -6.884 -13.999 845 1HG1 VAL 104 1HG1 VAL 104 1.856 -6.503 -11.929 846 2HG1 VAL 104 2HG1 VAL 104 0.970 -8.026 -11.841 847 3HG1 VAL 104 3HG1 VAL 104 0.354 -6.599 -11.007 848 1HG2 VAL 104 1HG2 VAL 104 -1.851 -6.953 -12.305 849 2HG2 VAL 104 2HG2 VAL 104 -1.102 -8.344 -13.089 850 3HG2 VAL 104 3HG2 VAL 104 -1.781 -7.042 -14.065 851 H LYS 105 H LYS 105 1.330 -4.397 -15.208 852 HA LYS 105 HA LYS 105 3.844 -4.027 -14.079 853 1HB LYS 105 2HB LYS 105 2.778 -2.433 -16.414 854 2HB LYS 105 1HB LYS 105 4.454 -2.833 -16.075 855 1HG LYS 105 2HG LYS 105 2.308 -4.812 -16.806 856 2HG LYS 105 1HG LYS 105 3.504 -4.143 -17.913 857 1HD LYS 105 2HD LYS 105 5.299 -5.171 -16.644 858 2HD LYS 105 1HD LYS 105 4.141 -5.778 -15.455 859 1HE LYS 105 2HE LYS 105 3.047 -7.097 -17.217 860 2HE LYS 105 1HE LYS 105 4.235 -6.513 -18.378 861 1HZ LYS 105 1HZ LYS 105 4.658 -8.774 -17.423 862 2HZ LYS 105 2HZ LYS 105 4.990 -8.022 -15.937 863 3HZ LYS 105 3HZ LYS 105 5.949 -7.681 -17.295 864 H LYS 106 H LYS 106 1.153 -1.762 -14.410 865 HA LYS 106 HA LYS 106 2.618 0.506 -13.464 866 1HB LYS 106 2HB LYS 106 -0.135 -0.037 -14.280 867 2HB LYS 106 1HB LYS 106 0.015 1.150 -12.992 868 1HG LYS 106 2HG LYS 106 1.198 1.247 -15.747 869 2HG LYS 106 1HG LYS 106 0.032 2.339 -15.018 870 1HD LYS 106 2HD LYS 106 2.944 2.050 -14.324 871 2HD LYS 106 1HD LYS 106 2.155 3.445 -15.051 872 1HE LYS 106 2HE LYS 106 1.703 2.396 -12.258 873 2HE LYS 106 1HE LYS 106 2.640 3.823 -12.687 874 1HZ LYS 106 1HZ LYS 106 0.611 4.835 -13.557 875 2HZ LYS 106 2HZ LYS 106 0.446 4.421 -11.923 876 3HZ LYS 106 3HZ LYS 106 -0.281 3.462 -13.111 877 H LEU 107 H LEU 107 0.419 -1.834 -11.982 878 HA LEU 107 HA LEU 107 0.174 -0.546 -9.500 879 1HB LEU 107 2HB LEU 107 -0.322 -3.290 -10.504 880 2HB LEU 107 1HB LEU 107 -0.148 -3.111 -8.769 881 HG LEU 107 HG LEU 107 -2.507 -3.032 -9.425 882 1HD1 LEU 107 1HD1 LEU 107 -1.456 -0.366 -8.506 883 2HD1 LEU 107 2HD1 LEU 107 -1.779 -1.765 -7.483 884 3HD1 LEU 107 3HD1 LEU 107 -3.108 -0.952 -8.313 885 1HD2 LEU 107 1HD2 LEU 107 -3.361 -1.132 -10.734 886 2HD2 LEU 107 2HD2 LEU 107 -2.286 -2.164 -11.680 887 3HD2 LEU 107 3HD2 LEU 107 -1.704 -0.621 -11.053 888 H LYS 108 H LYS 108 2.597 -2.778 -10.730 889 HA LYS 108 HA LYS 108 4.090 -3.211 -8.423 890 1HB LYS 108 2HB LYS 108 4.882 -2.895 -11.312 891 2HB LYS 108 1HB LYS 108 6.084 -3.187 -10.067 892 1HG LYS 108 2HG LYS 108 5.204 -5.321 -9.579 893 2HG LYS 108 1HG LYS 108 3.737 -5.006 -10.512 894 1HD LYS 108 2HD LYS 108 4.905 -5.083 -12.562 895 2HD LYS 108 1HD LYS 108 6.472 -4.996 -11.760 896 1HE LYS 108 2HE LYS 108 4.595 -7.295 -11.316 897 2HE LYS 108 1HE LYS 108 5.713 -7.262 -12.678 898 1HZ LYS 108 1HZ LYS 108 6.406 -7.214 -9.788 899 2HZ LYS 108 2HZ LYS 108 7.526 -6.947 -11.032 900 3HZ LYS 108 3HZ LYS 108 6.741 -8.437 -10.909 901 H GLU 109 H GLU 109 4.277 -0.542 -10.742 902 HA GLU 109 HA GLU 109 6.358 0.829 -9.385 903 1HB GLU 109 2HB GLU 109 4.399 1.710 -11.501 904 2HB GLU 109 1HB GLU 109 5.701 2.731 -10.900 905 1HG GLU 109 2HG GLU 109 6.036 0.059 -12.243 906 2HG GLU 109 1HG GLU 109 6.307 1.635 -12.988 907 H ASP 110 H ASP 110 2.839 1.242 -9.478 908 HA ASP 110 HA ASP 110 2.746 3.612 -7.967 909 1HB ASP 110 2HB ASP 110 0.704 1.433 -8.405 910 2HB ASP 110 1HB ASP 110 0.356 2.859 -7.437 911 H VAL 111 H VAL 111 2.596 0.206 -6.953 912 HA VAL 111 HA VAL 111 2.335 0.868 -4.179 913 HB VAL 111 HB VAL 111 3.196 -1.718 -5.500 914 1HG1 VAL 111 1HG1 VAL 111 2.736 -2.783 -3.339 915 2HG1 VAL 111 2HG1 VAL 111 2.424 -1.201 -2.627 916 3HG1 VAL 111 3HG1 VAL 111 4.039 -1.602 -3.207 917 1HG2 VAL 111 1HG2 VAL 111 0.910 -1.060 -6.041 918 2HG2 VAL 111 2HG2 VAL 111 0.549 -0.863 -4.326 919 3HG2 VAL 111 3HG2 VAL 111 0.918 -2.462 -4.969 920 H ARG 112 H ARG 112 5.027 0.172 -6.351 921 HA ARG 112 HA ARG 112 7.054 -0.042 -4.428 922 1HB ARG 112 2HB ARG 112 7.312 -0.612 -6.845 923 2HB ARG 112 1HB ARG 112 7.334 1.109 -7.210 924 1HG ARG 112 2HG ARG 112 9.376 1.414 -6.020 925 2HG ARG 112 1HG ARG 112 9.305 -0.222 -5.369 926 1HD ARG 112 2HD ARG 112 10.908 -0.166 -7.155 927 2HD ARG 112 1HD ARG 112 9.512 -1.107 -7.671 928 HE ARG 112 HE ARG 112 8.935 0.595 -9.184 929 1HH1 ARG 112 1HH1 ARG 112 11.858 1.358 -7.380 930 2HH1 ARG 112 2HH1 ARG 112 12.366 2.588 -8.501 931 1HH2 ARG 112 1HH2 ARG 112 9.613 2.206 -10.651 932 2HH2 ARG 112 2HH2 ARG 112 11.097 3.073 -10.349 933 H LYS 113 H LYS 113 5.739 2.804 -6.095 934 HA LYS 113 HA LYS 113 7.416 4.773 -5.098 935 1HB LYS 113 2HB LYS 113 4.469 4.826 -5.732 936 2HB LYS 113 1HB LYS 113 5.368 6.262 -5.288 937 1HG LYS 113 2HG LYS 113 6.825 5.925 -7.243 938 2HG LYS 113 1HG LYS 113 5.840 4.532 -7.704 939 1HD LYS 113 2HD LYS 113 3.867 5.980 -7.855 940 2HD LYS 113 1HD LYS 113 4.851 7.366 -7.388 941 1HE LYS 113 2HE LYS 113 6.203 7.084 -9.399 942 2HE LYS 113 1HE LYS 113 5.224 5.695 -9.867 943 1HZ LYS 113 1HZ LYS 113 3.292 7.143 -10.007 944 2HZ LYS 113 2HZ LYS 113 4.532 7.701 -11.023 945 3HZ LYS 113 3HZ LYS 113 4.229 8.483 -9.546 946 H LEU 114 H LEU 114 4.564 3.305 -3.629 947 HA LEU 114 HA LEU 114 4.452 5.047 -1.411 948 1HB LEU 114 2HB LEU 114 2.504 3.895 -2.296 949 2HB LEU 114 1HB LEU 114 3.245 2.345 -1.970 950 HG LEU 114 HG LEU 114 3.183 2.834 0.414 951 1HD1 LEU 114 1HD1 LEU 114 1.648 5.281 -0.433 952 2HD1 LEU 114 2HD1 LEU 114 3.226 5.254 0.358 953 3HD1 LEU 114 3HD1 LEU 114 1.793 4.699 1.226 954 1HD2 LEU 114 1HD2 LEU 114 0.754 2.552 0.686 955 2HD2 LEU 114 2HD2 LEU 114 1.402 1.535 -0.602 956 3HD2 LEU 114 3HD2 LEU 114 0.531 3.016 -1.001 957 H VAL 115 H VAL 115 5.668 1.776 -1.955 958 HA VAL 115 HA VAL 115 6.412 1.255 0.707 959 HB VAL 115 HB VAL 115 7.519 0.075 -1.848 960 1HG1 VAL 115 1HG1 VAL 115 8.282 -1.791 -0.423 961 2HG1 VAL 115 2HG1 VAL 115 7.815 -0.864 1.004 962 3HG1 VAL 115 3HG1 VAL 115 9.103 -0.274 -0.047 963 1HG2 VAL 115 1HG2 VAL 115 5.407 -0.921 0.062 964 2HG2 VAL 115 2HG2 VAL 115 6.033 -1.811 -1.325 965 3HG2 VAL 115 3HG2 VAL 115 5.135 -0.313 -1.572 966 H ILE 116 H ILE 116 8.294 2.514 -2.024 967 HA ILE 116 HA ILE 116 10.776 2.675 -0.778 968 HB ILE 116 HB ILE 116 9.571 4.500 -2.861 969 1HG1 ILE 116 2HG1 ILE 116 11.582 2.254 -3.108 970 2HG1 ILE 116 1HG1 ILE 116 9.872 2.123 -3.500 971 1HG2 ILE 116 1HG2 ILE 116 11.871 5.231 -3.333 972 2HG2 ILE 116 2HG2 ILE 116 12.431 4.332 -1.925 973 3HG2 ILE 116 3HG2 ILE 116 11.336 5.698 -1.721 974 1HD1 ILE 116 1HD1 ILE 116 10.148 3.813 -5.244 975 2HD1 ILE 116 2HD1 ILE 116 11.194 2.418 -5.502 976 3HD1 ILE 116 3HD1 ILE 116 11.866 3.917 -4.862 977 H PHE 117 H PHE 117 7.993 4.813 -0.551 978 HA PHE 117 HA PHE 117 9.427 6.978 0.648 979 1HB PHE 117 2HB PHE 117 7.248 7.239 -0.547 980 2HB PHE 117 1HB PHE 117 6.460 6.396 0.781 981 HD1 PHE 117 2HD PHE 117 8.293 9.460 -0.150 982 HD2 PHE 117 1HD PHE 117 5.939 7.505 2.810 983 HE1 PHE 117 2HE PHE 117 8.057 11.589 1.065 984 HE2 PHE 117 1HE PHE 117 5.702 9.627 4.030 985 HZ PHE 117 HZ PHE 117 6.760 11.670 3.160 986 H ALA 118 H ALA 118 7.370 4.388 1.877 987 HA ALA 118 HA ALA 118 7.447 5.074 4.596 988 1HB ALA 118 1HB ALA 118 7.178 2.333 3.356 989 2HB ALA 118 2HB ALA 118 5.858 3.459 3.682 990 3HB ALA 118 3HB ALA 118 6.774 2.761 5.019 991 H VAL 119 H VAL 119 9.502 2.831 2.736 992 HA VAL 119 HA VAL 119 11.086 2.053 4.961 993 HB VAL 119 HB VAL 119 11.862 1.894 2.038 994 1HG1 VAL 119 1HG1 VAL 119 13.692 1.453 3.594 995 2HG1 VAL 119 2HG1 VAL 119 13.205 -0.019 2.754 996 3HG1 VAL 119 3HG1 VAL 119 12.704 0.249 4.424 997 1HG2 VAL 119 1HG2 VAL 119 10.876 -0.359 2.075 998 2HG2 VAL 119 2HG2 VAL 119 9.667 0.896 2.346 999 3HG2 VAL 119 3HG2 VAL 119 10.268 -0.056 3.701 1000 H ASN 120 H ASN 120 11.352 4.619 2.577 1001 HA ASN 120 HA ASN 120 13.998 5.431 3.125 1002 1HB ASN 120 2HB ASN 120 12.671 6.154 1.146 1003 2HB ASN 120 1HB ASN 120 11.653 7.122 2.202 1004 1HD2 ASN 120 1HD2 ASN 120 13.494 7.741 -0.094 1005 2HD2 ASN 120 2HD2 ASN 120 14.499 9.019 0.503 1006 H SER 121 H SER 121 10.898 6.287 4.581 1007 HA SER 121 HA SER 121 11.923 8.332 6.258 1008 1HB SER 121 2HB SER 121 9.512 8.047 5.592 1009 2HB SER 121 1HB SER 121 9.427 6.680 6.704 1010 HG SER 121 HG SER 121 9.660 8.016 8.411 1011 H LEU 122 H LEU 122 11.878 4.871 6.502 1012 HA LEU 122 HA LEU 122 11.968 4.604 9.300 1013 1HB LEU 122 2HB LEU 122 12.423 2.889 6.986 1014 2HB LEU 122 1HB LEU 122 13.415 2.459 8.365 1015 HG LEU 122 HG LEU 122 11.421 2.188 9.749 1016 1HD1 LEU 122 1HD1 LEU 122 9.881 2.885 7.252 1017 2HD1 LEU 122 2HD1 LEU 122 9.997 3.869 8.711 1018 3HD1 LEU 122 3HD1 LEU 122 9.187 2.303 8.766 1019 1HD2 LEU 122 1HD2 LEU 122 12.254 0.272 8.489 1020 2HD2 LEU 122 2HD2 LEU 122 11.223 0.713 7.127 1021 3HD2 LEU 122 3HD2 LEU 122 10.501 0.212 8.655 1022 H GLU 123 H GLU 123 14.437 5.454 7.014 1023 HA GLU 123 HA GLU 123 16.539 5.146 9.020 1024 1HB GLU 123 2HB GLU 123 16.625 6.065 6.146 1025 2HB GLU 123 1HB GLU 123 18.026 6.057 7.206 1026 1HG GLU 123 2HG GLU 123 17.652 3.594 7.499 1027 2HG GLU 123 1HG GLU 123 16.460 3.703 6.200 1028 H HIS 124 H HIS 124 14.205 7.232 8.811 1029 HA HIS 124 HA HIS 124 13.822 9.416 9.254 1030 1HB HIS 124 2HB HIS 124 15.395 9.007 11.162 1031 2HB HIS 124 1HB HIS 124 16.719 9.547 10.134 1032 HD1 HIS 124 1HD HIS 124 17.376 11.835 10.741 1033 HD2 HIS 124 2HD HIS 124 13.268 11.269 11.091 1034 HE1 HIS 124 1HE HIS 124 16.445 14.052 11.483 1035 HE2 HIS 124 2HE HIS 124 14.001 13.604 11.930 1036 H HIS 125 H HIS 125 13.877 9.094 6.814 1037 HA HIS 125 HA HIS 125 14.061 10.057 4.798 1038 1HB HIS 125 2HB HIS 125 14.175 12.192 6.260 1039 2HB HIS 125 1HB HIS 125 15.894 12.165 5.894 1040 HD1 HIS 125 1HD HIS 125 14.350 14.548 4.906 1041 HD2 HIS 125 2HD HIS 125 14.726 11.051 2.680 1042 HE1 HIS 125 1HE HIS 125 13.924 15.208 2.516 1043 HE2 HIS 125 2HE HIS 125 13.903 13.034 1.243 1044 H HIS 126 H HIS 126 15.482 7.930 5.144 1045 HA HIS 126 HA HIS 126 17.062 6.667 4.160 1046 1HB HIS 126 2HB HIS 126 16.551 8.653 2.347 1047 2HB HIS 126 1HB HIS 126 18.299 8.755 2.519 1048 HD1 HIS 126 1HD HIS 126 18.231 5.433 3.067 1049 HD2 HIS 126 2HD HIS 126 17.027 7.613 -0.276 1050 HE1 HIS 126 1HE HIS 126 18.351 3.838 1.134 1051 HE2 HIS 126 2HE HIS 126 17.445 5.116 -0.832 1052 H HIS 127 H HIS 127 19.685 7.530 3.167 1053 HA HIS 127 HA HIS 127 20.914 7.581 5.845 1054 1HB HIS 127 2HB HIS 127 20.913 5.498 4.163 1055 2HB HIS 127 1HB HIS 127 22.322 6.343 3.534 1056 HD1 HIS 127 1HD HIS 127 21.199 4.140 6.227 1057 HD2 HIS 127 2HD HIS 127 24.448 6.641 5.487 1058 HE1 HIS 127 1HE HIS 127 22.977 3.471 7.889 1059 HE2 HIS 127 2HE HIS 127 24.981 4.882 7.307 1060 H HIS 128 H HIS 128 20.467 9.672 3.481 1061 HA HIS 128 HA HIS 128 23.074 10.920 3.868 1062 1HB HIS 128 2HB HIS 128 21.967 10.102 1.202 1063 2HB HIS 128 1HB HIS 128 22.995 11.524 1.331 1064 HD1 HIS 128 1HD HIS 128 23.197 8.028 0.662 1065 HD2 HIS 128 2HD HIS 128 25.576 10.773 2.685 1066 HE1 HIS 128 1HE HIS 128 25.477 6.980 0.795 1067 HE2 HIS 128 2HE HIS 128 26.944 8.756 1.814 1068 H HIS 129 H HIS 129 23.103 13.150 3.536 1069 HA HIS 129 HA HIS 129 20.725 14.494 2.580 1070 1HB HIS 129 2HB HIS 129 20.398 14.168 5.078 1071 2HB HIS 129 1HB HIS 129 21.809 15.196 5.315 1072 HD1 HIS 129 1HD HIS 129 21.543 17.740 4.439 1073 HD2 HIS 129 2HD HIS 129 18.045 15.494 4.653 1074 HE1 HIS 129 1HE HIS 129 19.660 19.401 4.338 1075 HE2 HIS 129 2HE HIS 129 17.551 18.019 4.393